SCHEMBL2158473

SCHEMBL2158473

COc1ccc(C(=O)N(C)c2csc(-c3ccccc3)c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 4/20 0.54
HSD17B1 P14061 3/20 0.54
MCHR1 Q99705 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
OXTR P30559 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
ALOX12 P18054 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
SCHEMBL17321082 0.82 L3MBTL1 (0.64) MCHR1L3MBTL1CA12CA1CA2
SCHEMBL2158629 0.81 HSD17B1 (0.47) HSD17B2HSD17B1MCHR1L3MBTL1ALDH1A1
SCHEMBL2158030 0.80 CNR1 (0.52) HSD17B2HSD17B1L3MBTL1OXTRALDH1A1
SCHEMBL2157643 0.79 HSD17B2 (0.46) HSD17B2HSD17B1OXTRALDH1A1CYP3A4
SCHEMBL2157847 0.78 HSD17B1 (0.50) HSD17B2HSD17B1OXTRHTTNPSR1
SCHEMBL2157714 0.78 ACLY (0.52) HSD17B2HSD17B1L3MBTL1OXTRALDH1A1
SCHEMBL17107127 0.77 GRM1 (0.62) ALDH1A1MEN1KMT2AMAPT
SCHEMBL2157779 0.77 TUBB4A (0.47) HSD17B2HSD17B1MCHR1CA12CA1
SCHEMBL3811638 0.76 MAPT (0.45) HSD17B2HSD17B1MCHR1L3MBTL1CA12
SCHEMBL2158482 0.74 TRPV1 (0.50) HSD17B2HSD17B1GAAHPGD

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 3 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

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 HSD17B2 1131/4885HSD17B1 740/4885MCHR1 3432/4885

“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.