SCHEMBL3736618

SCHEMBL3736618

CCOC(=O)c1sc(=O)[nH]c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.67
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 8/20 0.45
MAPT P10636 5/20 0.45
GAA P10253 5/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42

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
SCHEMBL11399022 0.87 MC4R (0.53) MC4RCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11399329 0.85 MC4R (0.50) MC4RCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11811558 0.84 MC4R (0.51) MC4RCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11400579 0.82 GPR84 (0.48) MC4RALDH1A1MAPTLMNANPC1
SCHEMBL11395840 0.82 GPR84 (0.48) MC4RALDH1A1MAPTLMNANPC1
SCHEMBL11399153 0.82 GPR84 (0.48) MC4RALDH1A1MAPTLMNANPC1
SCHEMBL11393247 0.82 GPR84 (0.48) MC4RALDH1A1MAPTLMNANPC1
SCHEMBL11401028 0.81 MAPT (0.45) MC4RCYP1A2ALDH1A1MAPTGAA
SCHEMBL1880439 0.80 MC4R (1.00) MC4RCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11398706 0.79 MC4R (0.44) MC4RALDH1A1MAPTGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404859-B2 Thiazole and thiophene compounds HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404859-B2 Thiazole and thiophene compounds HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404859-B2 Thiazole and thiophene compounds HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
WO-2012123471-A1 THIAZOLE AND THIOPHENE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS GILLESPIE PAUL (US) 2012-09-20 US disclosed
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS GILLESPIE PAUL (US) 2012-09-20 US disclosed
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS GILLESPIE PAUL (US) 2012-09-20 US disclosed
WO-2012123471-A1 THIAZOLE AND THIOPHENE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-7834013-B2 Racemic-(trans)-2-[4-({[3-(phenyloxy)phenyl]methyl}ammonium)phenyl]cyclopropanecarboxylic acid; type II diabetes; G protein-coupled receptor 40 (GPR40) agonists GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
US-7834013-B2 Racemic-(trans)-2-[4-({[3-(phenyloxy)phenyl]methyl}ammonium)phenyl]cyclopropanecarboxylic acid; type II diabetes; G protein-coupled receptor 40 (GPR40) agonists GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
US-7834013-B2 Racemic-(trans)-2-[4-({[3-(phenyloxy)phenyl]methyl}ammonium)phenyl]cyclopropanecarboxylic acid; type II diabetes; G protein-coupled receptor 40 (GPR40) agonists GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 US disclosed
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 US disclosed
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 US disclosed
WO-2005051890-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 SMITHKLINE BEECHAM CORPORATION (US) 2005-06-09 WO disclosed
US-5817829-A FUNGICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-06 US disclosed
EP-0757987-A1 PYRAZOLECARBOXYLIC ACID DERIVATIVE AND PLANT DISEASE CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-02-12 EP disclosed
US-4273573-A Agents for regulating plant growth using 2-thiazolone-5-carboxylic acid compounds BAYER AKTIENGESELLSCHAFT (DE) 1981-06-16 US disclosed
US-3948925-A INSECTICIDE, NEMATOCIDE, MITICIDE ROUSSEL-UCLAF (FR) 1976-04-06 US disclosed
US-3932436-A 2-Thiazolone-5-carboxylic acid ester fungicidal agents BAYER AKTIENGESELLSCHAFT (DT) 1976-01-13 US 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 (2 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-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GPR65, GPR88, GPR84 MC4R 60/4885CYP1A2 1945/4885CYP2C9 2774/4885
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS TSLP, CFTR, TPMT MC4R 386/4885CYP1A2 97/4885CYP2C9 72/4885

“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.