SCHEMBL999047

SCHEMBL999047

CC(C)(C)OC(=O)NC(Cc1csc2ccccc12)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.76
CTSK P43235 6/20 0.76
CTSL P07711 3/20 0.76
ACE P12821 2/20 0.52
SCN9A Q15858 1/20 0.49
TACR1 P25103 1/20 0.48
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
IDO1 P14902 1/20 0.47
PPARD Q03181 2/20 0.46
CTSB P07858 1/20 0.46
PTPN1 P18031 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL999046 1.00 CTSS (0.76) CTSSCTSKCTSLACESCN9A
SCHEMBL29828648 1.00 CTSS (0.76) CTSSCTSKCTSLACESCN9A
SCHEMBL29908025 1.00 CTSS (0.76) CTSSCTSKCTSLACESCN9A
SCHEMBL3599165 1.00 CTSS (0.76) CTSSCTSKCTSLACESCN9A
SCHEMBL8968483 0.94 CTSS (0.68) CTSSCTSKCTSLACESCN9A
SCHEMBL9001355 0.90 CTSS (0.71) CTSSCTSKCTSLSCN9ATACR1
SCHEMBL29828668 0.90 CTSS (0.71) CTSSCTSKCTSLSCN9ATACR1
SCHEMBL5861615 0.89 CTSS (0.62) CTSSCTSKCTSLACESCN9A
SCHEMBL5556628 0.89 CTSS (0.76) CTSSCTSKCTSLTACR1CTSB
SCHEMBL19203445 0.87 CTSL (0.65) CTSSCTSKCTSLACESCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253634-A1 PROCESS FOR THE LIQUID PHASE SYNTHESIS OF H-INP-(D)BAL-(D)TRP-PHE-APC-NH2, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ALLERGAN GI CORP (US) 2021-08-19 US disclosed
US-20200172572-A1 PROCESS FOR THE LIQUID PHASE SYNTHESIS OF H-INP-(D)BAL-(D)TRP-PHE-APC-NH2, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ALLERGAN GI CORP (US) 2020-06-04 US disclosed
US-10202353-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2019-02-12 US disclosed
US-20170218015-A1 PROCESS FOR THE LIQUID PHASE SYNTHESIS OF H-INP-(D)BAL-(D)TRP-PHE-APC-NH2, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ALLERGAN GI CORP. 2017-08-03 US disclosed
US-20160368881-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-12-22 US disclosed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
US-7855292-B2 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-20100292240-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
EP-1932853-A1 Novel depsipeptides and process for preparing same Cubist Pharmaceutical Inc. (US) 2008-06-18 EP disclosed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 WO disclosed
US-20030040483-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-02-27 US disclosed
WO-2003014147-A1 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME CUBIST PHARMACEUTICALS, INC. (US) 2003-02-20 WO disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
US-5612336-A Heterocyclic amide derivatives as tachykinin antagonists MERCK, SHARP & DOHME LTD. (GB) 1997-03-18 US disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
US-5514718-A AMINO COMPOUNDS WITH ALKOXY, HYDROXY, KETONE OR OXIME GROUPS FOR PSYCHOLOGICAL DISORDERS OR TACHYKININ ANTAGONIST MERCK, SHARP & DOHME LIMITED (GB) 1996-05-07 US disclosed
US-5328927-A Tachykinin antagonists MERCK SHARPE & DOHME, LTD. (GB) 1994-07-12 US disclosed
WO-1994001402-A1 HETEROCYCLIC AMIDE DERIVATIVES AS TACHYKININ DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-01-20 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 (7 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-20210253634-A1 PROCESS FOR THE LIQUID PHASE SYNTHESIS OF H-INP-(D)BAL-(D)TRP-PHE-APC-NH2, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF VIP, IAPP, PROKR1 CTSS 4527/4885CTSK 4550/4885CTSL 1982/4885
US-20200172572-A1 PROCESS FOR THE LIQUID PHASE SYNTHESIS OF H-INP-(D)BAL-(D)TRP-PHE-APC-NH2, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF VIP, IAPP, PROKR1 CTSS 4527/4885CTSK 4550/4885CTSL 1982/4885
US-20170218015-A1 PROCESS FOR THE LIQUID PHASE SYNTHESIS OF H-INP-(D)BAL-(D)TRP-PHE-APC-NH2, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF VIP, IAPP, PROKR1 CTSS 4527/4885CTSK 4550/4885CTSL 1982/4885
US-20160368881-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 CTSS 379/4885CTSK 780/4885CTSL 309/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 CTSS 1297/4885CTSK 2606/4885CTSL 3033/4885
US-10202353-B2 Therapeutic compounds RPL35, SARS1, HAVCR2 CTSS 436/4885CTSK 782/4885CTSL 379/4885
US-20030040483-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, GRPR CTSS 2636/4885CTSK 1778/4885CTSL 1539/4885

“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.