Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17894107

COC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(N)CCc1ccccc1.Cl

nearest known ligand 0.59

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 14)

geneUniProtsupporting neighboursconfidence
OPRK1 known ✓ P41145 1/20 0.53
ERAP2 Q6P179 4/20 0.56
ERAP1 Q9NZ08 4/20 0.56
IL1RN P18510 3/20 0.56
ALDH1A1 P00352 1/20 0.56
THRB P10828 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPY4R P50391 2/20 0.55
NPY1R P25929 1/20 0.55
BIRC2 Q13490 1/20 0.53
CAPN1 P07384 1/20 0.53
LNPEP Q9UIQ6 2/20 0.53

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 SCHEMBL17894106 1.00 ERAP2 (0.56) ERAP2ERAP1IL1RNALDH1A1THRB
Hydrochloric Acid SCHEMBL18171932 1.00 ERAP2 (0.56) ERAP2ERAP1IL1RNALDH1A1THRB
Hydrochloric Acid SCHEMBL18171940 1.00 ERAP2 (0.56) ERAP2ERAP1IL1RNALDH1A1THRB
SCHEMBL18257509 0.99 ALDH1A1 (0.57) ERAP2ERAP1IL1RNALDH1A1THRB
SCHEMBL85021 0.99 ALDH1A1 (0.57) ERAP2ERAP1IL1RNALDH1A1THRB
Hydrochloric Acid SCHEMBL30561184 0.92 CAPN1 (0.55) ERAP2ERAP1IL1RNCAPN1
Hydrochloric Acid SCHEMBL29076928 0.92 CAPN1 (0.55) ERAP2ERAP1IL1RNCAPN1
Hydrochloric Acid SCHEMBL29076930 0.92 CAPN1 (0.55) ERAP2ERAP1IL1RNCAPN1
SCHEMBL2633273 0.91 CTSL (0.51) ERAP2ERAP1IL1RNNPY4RNPY1R
SCHEMBL20825249 0.90 CAPN1 (0.56) ERAP2ERAP1IL1RNCAPN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768972-A Preparation method of carfilzomib intermediate 重庆药友制药有限责任公司 2023-09-19 CN disclosed
US-10544189-B2 Process for the preparation of (2S)-N-((S)-1-((S)-4-methyl-1-((R)-2-methyl oxiran-2-yl)-1-oxopentan-2-ylcarbamoyl)-2-phenylethyl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)-4-methylpentanamide MSN LABORATORIES PRIVATE LIMITED (IN) 2020-01-28 US disclosed
US-10301353-B2 Co-crystal of carfilzomib with maleic acid and process for the preparation of pure carfilzomib DR. REDDY'S LABORATORIES LIMITED (IN) 2019-05-28 US disclosed
US-20180298056-A1 PROCESS FOR THE PREPARATION OF (2S)-N-((S)-1-((S)-4-METHYL-1-((R)-2-METHYL OXIRAN-2-YL)-1-OXOPENTAN-2-YLCARBAMOYL)-2-PHENYLETHYL)-2-((S)-2-(2-MORPHOLINO ACETAMIDO)-4-PHENYLBUTANAMIDO)-4-METHYLPENTANAMIDE MSN LABORATORIES PRIVATE LIMITED (IN) 2018-10-18 US disclosed
US-20170369528-A1 CO-CRYSTAL OF CARFILZOMIB WITH MALEIC ACID AND PROCESS FOR THE PREPARATION OF PURE CARFILZOMIB DR. REDDY'S LABORATORIES LIMITED (IN) 2017-12-28 US disclosed
EP-3240575-A1 CO-CRYSTAL OF CARFILZOMIB WITH MALEIC ACID AND PROCESS FOR THE PREPARATION OF PURE CARFILZOMIB Dr. Reddy's Laboratories Ltd. (IN) 2017-11-08 EP disclosed
WO-2016170544-A1 PROCESS FOR THE PREPARATION OF (2S)-N-((S)-1-((S)-4-METHYL-1-((R)-2-METHYL OXIRAN-2-YL)-1-OXOPENTAN-2-YLCARBAMOYL)-2-PHENYLETHYL)-2-((S)-2-(2-MORPHOLINO ACETAMIDO)-4-PHENYLBUTANAMIDO)-4-METHYLPENTANAMIDE MSN LABORATORIES PRIVATE LIMITED (IN) 2016-10-27 WO disclosed
WO-2016108204-A1 CO-CRYSTAL OF CARFILZOMIB WITH MALEIC ACID AND PROCESS FOR THE PREPARATION OF PURE CARFILZOMIB DR. REDDY'S LABORATORIES LIMITED (IN) 2016-07-07 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 (4 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-10544189-B2 Process for the preparation of (2S)-N-((S)-1-((S)-4-methyl-1-((R)-2-methyl oxiran-2-yl)-1-oxopentan-2-ylcarbamoyl)-2-phenylethyl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)-4-methylpentanamide OPRL1, PNMT, HTR1A OPRK1 25/4885ERAP2 1870/4885ERAP1 1917/4885
US-20180298056-A1 PROCESS FOR THE PREPARATION OF (2S)-N-((S)-1-((S)-4-METHYL-1-((R)-2-METHYL OXIRAN-2-YL)-1-OXOPENTAN-2-YLCARBAMOYL)-2-PHENYLETHYL)-2-((S)-2-(2-MORPHOLINO ACETAMIDO)-4-PHENYLBUTANAMIDO)-4-METHYLPENTANAMIDE OPRL1, OPRM1, ADRA1D OPRK1 28/4885ERAP2 1821/4885ERAP1 1863/4885
US-20170369528-A1 CO-CRYSTAL OF CARFILZOMIB WITH MALEIC ACID AND PROCESS FOR THE PREPARATION OF PURE CARFILZOMIB PRCP, ME1, MAN2B1 OPRK1 4508/4885ERAP2 1064/4885ERAP1 380/4885
US-10301353-B2 Co-crystal of carfilzomib with maleic acid and process for the preparation of pure carfilzomib PRCP, ME1, MAN2B1 OPRK1 4508/4885ERAP2 1064/4885ERAP1 380/4885

“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.