SCHEMBL12470639

SCHEMBL12470639

COc1c(C(=O)O)cc(F)c(B2OC(C)(C)C(C)(C)O2)c1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
GPR35 Q9HC97 3/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HNF4A P41235 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL1919908 0.80 HSD17B10 (0.39) HSD17B10GPR35HNF4AALDH1A1HPGD
SCHEMBL26106532 0.77 KDM4E (0.41) ALDH1A1KDM4E
SCHEMBL17939880 0.74 HSD17B10 (0.39) HSD17B10GPR35ALDH1A1HPGDKDM4E
SCHEMBL27204905 0.74 TDP1 (0.39) HSD17B10HNF4AALDH1A1HPGDKDM4E
SCHEMBL24745852 0.73 ALDH1A1 (0.44) HSD17B10GPR35ALDH1A1HPGDKDM4E
SCHEMBL7352417 0.72 MAPT (0.45) HSD17B10KEAP1NFE2L2ALDH1A1HPGD
SCHEMBL13125462 0.72 LMNA (0.38) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL17339030 0.71 TDP1 (0.39) HSD17B10HNF4AALDH1A1HPGDKDM4E
SCHEMBL17939966 0.71 ROCK1 (0.39) KDM4ETDP1
SCHEMBL24515305 0.70 KDM4E (0.41) HSD17B10GPR35ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340610-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2017-11-30 US disclosed
US-9603838-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-28 US disclosed
US-20150297566-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2015-10-22 US disclosed
US-9095583-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 US disclosed
EP-2683693-A1 RORGAMMAT INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-01-15 EP disclosed
WO-2012106995-A1 RORGAMMAT INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-08-16 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 (3 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-20150297566-A1 RORgammaT INHIBITORS RORB, RORC, RORA HSD17B10 1186/4885GPR35 88/4885KEAP1 2775/4885
US-20170340610-A1 RORgammaT INHIBITORS RORB, RORC, RORA HSD17B10 1208/4885GPR35 89/4885KEAP1 2633/4885
US-20140038942-A1 RORgammaT INHIBITORS RORB, RORC, RORA HSD17B10 1208/4885GPR35 89/4885KEAP1 2633/4885

“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.