Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4400312

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.Cl

nearest known ligand 0.75

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 6)

geneUniProtsupporting neighboursconfidence
▸ MMP8 known ✓ P22894 1/20 0.58
▸ CCKBR P32239 8/20 0.75
▸ CCKAR P32238 2/20 0.64
▸ MMP2 P08253 1/20 0.58
▸ MMP9 P14780 1/20 0.58
▸ MMP14 P50281 1/20 0.58

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
SCHEMBL22590113 0.99 CCKBR (0.76) CCKBRCCKARMMP2MMP9MMP8
SCHEMBL28318023 0.99 CCKBR (0.76) CCKBRCCKARMMP2MMP9MMP8
SCHEMBL184330 0.99 CCKBR (0.76) CCKBRCCKARMMP2MMP9MMP8
SCHEMBL11699855 0.93 CCKBR (0.68) CCKBRCCKARMMP2MMP9MMP8
SCHEMBL5384805 0.93 CCKBR (0.66) CCKBRMMP2MMP9MMP8MMP14
SCHEMBL11568613 0.90 CCKBR (0.92) CCKBRCCKAR
SCHEMBL30999544 0.89 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999586 0.89 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999587 0.89 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999592 0.89 CCKBR (0.74) CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048180-A1 Sustained-release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-02-19 — — US disclosed
US-7048947-B2 Sustained-release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-23 — — US disclosed
EP-1088555-B1 Sustained-release leuprorelin preparation TAKEDA PHARMACEUTICAL (JP) 2005-05-18 — — EP disclosed
EP-1404516-A2 MICROENCAPSULATION OF DRUGS BY SOLVENT EXCHANGE PURDUE RESEARCH FOUNDATION (US) 2004-04-07 — — EP disclosed
US-6599627-B2 Based on exchange of water and a hydrophilic organic solvent whereby a decline in solvent quality for solvent causes a polymer dissolved therein to be deposited onto an aqueous core PURDUE RESEARCH FOUNDATION 2003-07-29 — — US disclosed
WO-2003053325-A2 MICROENCAPSULATION OF DRUGS BY SOLVENT EXCHANGE PURDUE RESEARCH FOUNDATION (US) 2003-07-03 — — WO disclosed
EP-0058481-B2 Continuous release pharmaceutical compositions ASTRAZENECA AB (SE) 2003-05-21 — — EP disclosed
US-6528093-B1 Dissolving leuprorelin in an orgaic solvent of hydrocarbon halides, alkyl ethers or esters and aromatic hydrocarbons along with glycolic acid-lactic acid copolymer; adding a water mixture and desolventizing to form microcapsules TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 — — US disclosed
US-20030039698-A1 SUSTAINED-RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-02-27 — — US disclosed
US-20020173467-A1 Sustained-release preparation TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-11-21 — — US disclosed
US-5854384-A Process for preparing poly-α-amino acid particles SR CORPORATION (JP) 1998-12-29 — — US disclosed
US-5668111-A POLYPEPTIDE HORMONE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 — — US disclosed
US-5480868-A Sustained-release preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-02 — — US disclosed
US-5366734-A Implantable or injectable composition with polylactide or copolymer with glycolic acid with polypeptides for sustained release ZENECA LIMITED (GB) 1994-11-22 — — US disclosed
EP-0601799-A1 Sustained-release preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-06-15 — — EP disclosed
US-5100669-A Controlled release drug delivery BIOMATERIALS UNIVERSE, INC. (JP) 1992-03-31 — — US disclosed
US-5004602-A Containing Polypeptides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-02 — — US disclosed
US-4767628-A POLYLACTONE AND ACID STABLE POLYPEPTIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-30 — — US disclosed
EP-0058481-B1 CONTINUOUS RELEASE PHARMACEUTICAL COMPOSITIONS ZENECA LIMITED (GB) 1986-10-01 — — EP disclosed
EP-0058481-A1 Continuous release pharmaceutical compositions ZENECA LIMITED (GB) 1982-08-25 — — EP 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-20030039698-A1 SUSTAINED-RELEASE PREPARATION ARGLU1, NGLY1, NPR1 MMP8 3457/4885CCKBR 125/4885CCKAR 194/4885
US-20090048180-A1 Sustained-release preparation ARGLU1, NPR1, GHRHR MMP8 3240/4885CCKBR 105/4885CCKAR 213/4885
US-20020173467-A1 Sustained-release preparation ARGLU1, NGLY1, NPR1 MMP8 3457/4885CCKBR 125/4885CCKAR 194/4885

“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.

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