SCHEMBL2157522

SCHEMBL2157522

CCC(=O)N(Cc1cccc(OC)c1)c1csc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.56
PTGES O14684 1/20 0.53
ALOX5 P09917 1/20 0.53
HSD17B2 P37059 5/20 0.47
TSPO P30536 3/20 0.46
HSD17B1 P14061 1/20 0.45
PRKACA P17612 1/20 0.44
ROCK1 Q13464 1/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RNF4 P78317 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
SCHEMBL2157867 0.92 PTGDR2 (0.52) PTGDR2PTGESALOX5HSD17B2TSPO
SCHEMBL12464386 0.89 PTGDR2 (0.54) PTGDR2HSD17B2TSPOHSD17B1
SCHEMBL2158287 0.84 PTGDR2 (0.46) PTGDR2HSD17B2HSD17B1
SCHEMBL2158851 0.82 LTB4R2 (0.48) PTGDR2PTGESALOX5TSPO
SCHEMBL2158771 0.82 KMT2A (0.46) PTGDR2PTGESALOX5HSD17B2TSPO
SCHEMBL2158429 0.81 LTB4R2 (0.47) PTGDR2
SCHEMBL3811136 0.80 PTGES (0.52) PTGDR2PTGESALOX5HSD17B2TSPO
SCHEMBL2158410 0.79 PTGES (0.48) PTGDR2PTGESALOX5CYP2C8CYP2C9
SCHEMBL3811140 0.78 PTGDR2 (0.49) PTGDR2PTGESALOX5HSD17B2TSPO
SCHEMBL2157488 0.77 CRHBP (0.45) PTGDR2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 US disclosed
EP-1401825-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION Shire Biochem Inc. (CA) 2004-03-31 EP disclosed
WO-2002100851-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION SHIRE BIOCHEM INC. (CA) 2002-12-19 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 (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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS PTGDR2 4606/4885PTGES 1887/4885ALOX5 2155/4885

“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.