SCHEMBL7167169

SCHEMBL7167169

CCCCCSCC(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
BLM P54132 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ACE2 Q9BYF1 1/20 0.48
CES2 O00748 3/20 0.47
EPHX1 P07099 1/20 0.43
FAAH O00519 4/20 0.42
CES1 P23141 4/20 0.42
PLA2G6 O60733 1/20 0.42
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
CA1 P00915 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 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
SCHEMBL9851243 0.98 MAPT (0.55) MAPTGMNNTP53POLBTHRB
SCHEMBL10639673 0.98 MAPT (0.55) MAPTGMNNTP53POLBTHRB
SCHEMBL9106808 0.98 MAPT (0.55) MAPTGMNNTP53POLBTHRB
SCHEMBL9355083 0.98 MAPT (0.55) MAPTGMNNTP53POLBTHRB
SCHEMBL11089311 0.98 MAPT (0.55) MAPTGMNNTP53POLBTHRB
SCHEMBL9734941 0.94 ACE2 (0.46) MAPTGMNNTP53POLBTHRB
SCHEMBL10667103 0.88 GMNN (0.46) MAPTGMNNTP53POLBTHRB
SCHEMBL9074387 0.88 ACE2 (0.47) MAPTGMNNTP53POLBTHRB
SCHEMBL11661027 0.86 ACE2 (0.45) MAPTGMNNTP53POLBTHRB
SCHEMBL11660304 0.86 ACE2 (0.45) MAPTGMNNTP53POLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543545-A REACTING PREHEATED THIOCARBOXYLIC ACID WITH METHACRYLATE ESTER IN PRESENCE OF ORGANIC SOLVENT OR POLYMERIZATION INHIBITOR INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1996-08-06 US claimed
US-5001251-A Optical resolution of DL-3-acylthio-2-methylpropanoic acid E. R. SQUIBB & SONS, INC. (US) 1991-03-19 US claimed
EP-0369553-A1 Process for the enantioselective preparation of D-(-)-3-hal-2-methylpropionic acid or derivatives thereof and the preparation of captopril therefrom DSM N.V. (NL) 1990-05-23 EP claimed
EP-0259465-A1 PROCESS FOR PREPARING OPTICALLY-ACTIVE 3-ACYLTHIO-2-METHYLPROPIONIC ACID DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1988-03-16 EP claimed
WO-1987005328-A1 PROCESS FOR PREPARING OPTICALLY-ACTIVE 3-ACYLTHIO-2-METHYLPROPIONIC ACID DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1987-09-11 WO claimed
US-4411836-A HEATING IN PRESENCE OF FATTY OR AROMATIC ACID SALT OR TERTIARY AMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-25 US claimed
US-4325886-A BY FORMING A SALT WITH A DIPHENYL HYDROXY AMINE COMPOUND, FRACTIONAL CRYSTALLIZATION, SEPARATION AND ACIDIFICATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-20 US claimed
US-4297282-A REACTING AN A-METHYL-B-ACYLTHIOPROPIONIC ACID WITH AN OPTICALLY ACTIVE ARYLALKYL PRIMARY AMINE; CRYSTALLIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-27 US claimed
JP-56018958-A None JP disclosed
US-8815478-B2 Colored curable composition, resist liquid, ink for inkjet printing, color filter, method of producing color filter, solid-state image sensor, liquid crystal display, organic EL display, image display device and colorant compound FUJIFILM CORPORATION (JP) 2014-08-26 US disclosed
US-20120264039-A1 COLORED CURABLE COMPOSITION, RESIST LIQUID, INK FOR INKJET PRINTING, COLOR FILTER, METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR, LIQUID CRYSTAL DISPLAY, ORGANIC EL DISPLAY, IMAGE DISPLAY DEVICE AND COLORANT COMPOUND FUJIFILM CORPORATION (JP) 2012-10-18 US disclosed
EP-0802182-B1 PROCESS FOR PRODUCING N-(D-alpha-METHYL-beta-MERCAPTOPROPIONYL)-L-PROLINE AND INTERMEDIATES THEREOF KANEKA CORP (JP) 2003-08-27 EP disclosed
US-5917055-A CAPTOPRIL KANEKA CORPORATION (JP) 1999-06-29 US disclosed
EP-0802182-A1 PROCESS FOR PRODUCING N-(D-$g(a)-METHYL-$g(b)-MERCAPTOPROPIONYL)-L-PROLINE AND INTERMEDIATES THEREOF KANEKA CORPORATION (JP) 1997-10-22 EP disclosed
US-4411836-A HEATING IN PRESENCE OF FATTY OR AROMATIC ACID SALT OR TERTIARY AMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-25 US disclosed
US-4325886-A BY FORMING A SALT WITH A DIPHENYL HYDROXY AMINE COMPOUND, FRACTIONAL CRYSTALLIZATION, SEPARATION AND ACIDIFICATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-20 US disclosed
US-4325886-A BY FORMING A SALT WITH A DIPHENYL HYDROXY AMINE COMPOUND, FRACTIONAL CRYSTALLIZATION, SEPARATION AND ACIDIFICATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-20 US disclosed
US-4297282-A REACTING AN A-METHYL-B-ACYLTHIOPROPIONIC ACID WITH AN OPTICALLY ACTIVE ARYLALKYL PRIMARY AMINE; CRYSTALLIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-27 US disclosed
US-4297282-A REACTING AN A-METHYL-B-ACYLTHIOPROPIONIC ACID WITH AN OPTICALLY ACTIVE ARYLALKYL PRIMARY AMINE; CRYSTALLIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-27 US disclosed
JP-S5618958-A PREPARATION OF N- D-ALPHA-METHYL-BETA-MERCAPTOPROPIONYL -L- PROLINE DERIVATIVE SUMITOMO CHEM CO LTD 1981-02-23 JP 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-20120264039-A1 COLORED CURABLE COMPOSITION, RESIST LIQUID, INK FOR INKJET PRINTING, COLOR FILTER, METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR, LIQUID CRYSTAL DISPLAY, ORGANIC EL DISPLAY, IMAGE DISPLAY DEVICE AND COLORANT COMPOUND CDYL, RET, NLRP1 MAPT 283/4885GMNN 2678/4885TP53 354/4885

“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.