Hydrochloric Acid

Hydrochloric Acid

SCHEMBL12501616

COC(=O)CC(N)C(=O)OC(C)(C)C.Cl

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 3/20 0.37
GAA known ✓ P10253 2/20 0.31
HDAC3 known ✓ O15379 1/20 0.31
HDAC1 known ✓ Q13547 1/20 0.31
HDAC2 known ✓ Q92769 1/20 0.31
HDAC8 known ✓ Q9BY41 1/20 0.31
HDAC6 known ✓ Q9UBN7 1/20 0.31
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
DGAT1 O75907 1/20 0.35
CYP2D6 P10635 1/20 0.35
LTA4H P09960 1/20 0.34
SLC1A1 P43005 1/20 0.34
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
TSHR P16473 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL14656788 1.00 CA12 (0.37) CA12CA14CA2DGAT1CYP2D6
SCHEMBL25812653 0.98 CA12 (0.38) CA12CA14CA2DGAT1CYP2D6
SCHEMBL4426559 0.98 CA12 (0.38) CA12CA14CA2DGAT1CYP2D6
SCHEMBL14666479 0.98 CA12 (0.38) CA12CA14CA2DGAT1CYP2D6
Hydrochloric Acid SCHEMBL853594 0.89 CYP2D6 (0.40) CA2CYP2D6LTA4HNOS1NOS3
Hydrochloric Acid SCHEMBL22398615 0.89 CYP2D6 (0.40) CA2CYP2D6LTA4HNOS1NOS3
Hydrochloric Acid SCHEMBL918665 0.89 CYP2D6 (0.40) CA2CYP2D6LTA4HNOS1NOS3
Hydrochloric Acid SCHEMBL16754608 0.89 CYP2D6 (0.40) CA2CYP2D6LTA4HNOS1NOS3
SCHEMBL25491161 0.87 SLC1A1 (0.35) CA12CA14CA2SLC1A1TSHR
SCHEMBL18758702 0.86 CYP2D6 (0.41) CA2DGAT1CYP2D6LTA4HNOS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250025438-A1 Derivative of aspartic acid and use thereof in treatment of metabolic diseases such as hepatic fibrosis and non-alcoholic hepatitis SHENZHEN JINGTAI TECHNOLOGY CO., LTD. (CN) 2025-01-23 US disclosed
US-12178842-B2 PCSK9 antagonist compounds MERCK SHARP & DOHME LLC (US) 2024-12-31 US disclosed
CN-118234705-A Aspartic acid derivative and application thereof in treatment of liver fibrosis, nonalcoholic hepatitis and other metabolic diseases 深圳利沃生物医药科技有限公司 2024-06-21 CN disclosed
WO-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed
US-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-06-01 US disclosed
WO-2023083291-A1 DERIVATIVE OF ASPARTIC ACID AND USE THEREOF IN TREATMENT OF METABOLIC DISEASES SUCH AS HEPATIC FIBROSIS AND NON-ALCOHOLIC HEPATITIS 深圳利沃生物医药科技有限公司 2023-05-19 WO disclosed
US-11484565-B2 PCSK9 antagonist compounds MERCK SHARP & DOHME LLC (US) 2022-11-01 US disclosed
EP-4021919-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-07-06 EP disclosed
US-20210069288-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2021-03-11 US disclosed
WO-2021041770-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2021-03-04 WO disclosed
CN-103339141-B C-28 amines of C-3 modified betulinic acid derivatives as HIV maturation inhibitors 百时美施贵宝公司 2016-08-24 CN disclosed
EP-2670764-B1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-02 EP disclosed
US-8748415-B2 C-28 amines of C-3 modified betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-10 US disclosed
EP-2670764-A1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS Bristol-Myers Squibb Company (US) 2013-12-11 EP disclosed
CN-103339141-A C-28 amines of c-3 modified betulinic acid derivatives as hiv maturation inhibitors BRISTOL MYERS SQUIBB CO 2013-10-02 CN disclosed
US-20130029954-A1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
WO-2012106188-A1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210069288-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 CA2 3380/4885GAA 482/4885HDAC3 443/4885
US-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 CA2 3380/4885GAA 482/4885HDAC3 443/4885
US-12178842-B2 PCSK9 antagonist compounds PCSK9, PCSK7, PCSK6 CA2 3380/4885GAA 482/4885HDAC3 443/4885
US-20130029954-A1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BET1, ERG28, CD4 CA2 3972/4885GAA 1244/4885HDAC3 921/4885
US-20250025438-A1 Derivative of aspartic acid and use thereof in treatment of metabolic diseases such as hepatic fibrosis and non-alcoholic hepatitis GOT1, GOT2, GLS2 CA2 2121/4885GAA 144/4885HDAC3 2551/4885
US-11484565-B2 PCSK9 antagonist compounds PCSK9, PCSK7, PCSK6 CA2 3380/4885GAA 482/4885HDAC3 443/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.