SCHEMBL4428606

SCHEMBL4428606

CCCCC(SC(C)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
MAPK1 P28482 1/20 0.47
PPARG P37231 10/20 0.44
ALOX5 P09917 8/20 0.44
PPARA Q07869 8/20 0.44
PTGES O14684 4/20 0.43
HSD17B10 Q99714 1/20 0.43
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39

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
SCHEMBL4428605 1.00 CA2 (0.47) CA2MAPK1PPARGALOX5PPARA
SCHEMBL6897326 1.00 CA2 (0.47) CA2MAPK1PPARGALOX5PPARA
SCHEMBL27607352 0.94 GPR84 (0.48) CA2MAPK1PPARGALOX5PPARA
SCHEMBL5612483 0.92 GPR84 (0.52) CA2GPR84FFAR1SLC1A2SLC1A1
SCHEMBL17292916 0.92 GPR84 (0.52) CA2GPR84FFAR1SLC1A2SLC1A1
SCHEMBL6889610 0.87 CHRM1 (0.46) CA2MAPK1PPARGALOX5PPARA
SCHEMBL6889603 0.87 CHRM1 (0.46) CA2MAPK1PPARGALOX5PPARA
SCHEMBL9985082 0.82 CA2 (0.43) CA2MAPK1PPARGALOX5PPARA
SCHEMBL11506347 0.82 CPB2 (0.50)
SCHEMBL14776700 0.82 CA2 (0.45) CA2MAPK1PPARGALOX5PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869820-A2 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS Onyx Therapeutics, Inc. (US) 2015-05-13 EP disclosed
WO-2014011695-A2 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-01-16 WO disclosed
EP-1924275-B1 THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE SIMMONS WILLIAM H (US) 2012-08-08 EP disclosed
EP-1924275-A4 THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE SIMMONS WILLIAM H (US) 2009-07-29 EP disclosed
EP-1951316-A2 MOLECULAR CONJUGATE Ventana Medical Systems, Inc. (US) 2008-08-06 EP disclosed
US-7390789-B2 Thio-containing inhibitors of aminopeptidase P, and compositions thereof SIMMONS WILLIAM H 2008-06-24 US disclosed
EP-1924275-A2 THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE Simmons, William H. (US) 2008-05-28 EP disclosed
WO-2007062177-A2 MOLECULAR CONJUGATE VENTANA MEDICAL SYSTEMS, INC. (US) 2007-05-31 WO disclosed
WO-2007032887-A2 THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE SIMMONS WILLIAM H (US) 2007-03-22 WO disclosed
US-20070060525-A1 Thio-containing inhibitors of aminopeptidase P, compositions thereof and method of use SIMMONS WILLIAM H 2007-03-15 US disclosed
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 US disclosed
EP-0783002-A2 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-07-09 EP disclosed
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 US disclosed
US-5627278-A MULTISTAGE REACTION FORMED BY AMIDATION, COUPLING AND REDUCTION BRISTOL-MYERS SQUIBB CO. (US) 1997-05-06 US disclosed
US-5616775-A ESTERIFYING A N-PROTECTED METHIONINE; OXIDIZING; REACTING WITH AN ACID ANHYDRIDE THEN AN ALKALI METAL HYDROXIDE BRISTOL-MYERS SQUIBB CO. (US) 1997-04-01 US disclosed
US-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 US disclosed
US-5508272-A SELECTIVE ACE INHIBITORS, HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 EP disclosed
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed
CN-1084849-A Dual action inhibitors SQUIBB & SONS INC (US) 1994-04-06 CN 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 (1 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-20070060525-A1 Thio-containing inhibitors of aminopeptidase P, compositions thereof and method of use ACE, DNPEP, APP CA2 921/4885MAPK1 3427/4885PPARG 3280/4885

“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.