Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3833993

COC(=O)[C@@H](N)CC(=O)OC(C)(C)C.Cl

nearest known ligand 0.42

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
HDAC3 known ✓ O15379 1/20 0.37
HDAC1 known ✓ Q13547 1/20 0.37
HDAC2 known ✓ Q92769 1/20 0.37
HDAC8 known ✓ Q9BY41 1/20 0.37
HDAC6 known ✓ Q9UBN7 1/20 0.37
CA2 known ✓ P00918 3/20 0.33
GAA known ✓ P10253 1/20 0.31
CYP2D6 P10635 1/20 0.41
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
DGAT1 O75907 1/20 0.35
KIF11 P52732 1/20 0.32
CA1 P00915 2/20 0.32
CA7 P43166 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NOS1 P29475 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31

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 SCHEMBL25216779 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL29401414 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL852346 0.98 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL852345 0.98 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2363538 0.98 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL918665 0.89 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL16754608 0.89 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL853594 0.89 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL22398615 0.89 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1934270 0.86 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705299-A1 RADIOPHARMACEUTICAL COMPOSITIONS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF Rayzebio, Inc. (US) 2026-03-11 EP disclosed
WO-2024229154-A1 RADIOPHARMACEUTICAL COMPOSITIONS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF RAYZEBIO, INC. (US) 2024-11-07 WO disclosed
CN-112638934-B Solution phase Path for WNT hexapeptide 温特研究公司 2024-06-11 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
CN-101506174-B Caspase inhibitors based on pyridazinone scaffold LG LIFE SCIENCES LTD 2012-05-02 CN disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP disclosed
CN-101506174-A Caspase inhibitors based on pyridazinone scaffold LG LIFE SCIENCES LTD (KR) 2009-08-12 CN disclosed
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers ALLOS THERAPEUTICS, INC. 2005-07-14 US disclosed
US-6894185-B2 Substituted chiral allosteric hemoglobin modifiers Allós Therapeutics, Inc. (US) 2005-05-17 US disclosed
EP-1206442-A4 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS UNIV VIRGINIA COMMONWEALTH (US) 2004-12-29 EP disclosed
US-6747050-B1 INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS LG CHEM INVESTMENT LTD. (KR) 2004-06-08 US disclosed
US-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers ABRAHAM DONALD J (US) 2003-07-10 US disclosed
US-6486342-B1 Substituted chiral allosteric hemoglobin modifiers VIRGINIA COMMONWEALTH UNIVERSITY 2002-11-26 US disclosed
EP-1206442-A1 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2002-05-22 EP disclosed
WO-2001014316-A1 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2001-03-01 WO disclosed
EP-0942923-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022493-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 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 (3 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-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 HDAC3 3695/4885HDAC1 4517/4885HDAC2 4613/4885
US-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 HDAC3 823/4885HDAC1 277/4885HDAC2 375/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 HDAC3 3695/4885HDAC1 4517/4885HDAC2 4613/4885

“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.