SCHEMBL862737

SCHEMBL862737

COc1ccc(OC)c(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2cc(F)ccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.41
CYP2C8 P10632 1/20 0.39
PPARG P37231 4/20 0.38
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PTGS2 P35354 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL862131 0.91 PPARG (0.47) CYP2C8PPARGMAPTTP53AKR1C3
SCHEMBL831437 0.89 CYP2C8 (0.41) CYP2C8PPARGMAPTKMT2ALMNA
SCHEMBL862472 0.87 CYP2C8 (0.43) CYP2C8PPARGMAPTKMT2AMEN1
SCHEMBL862266 0.87 CYP2C8 (0.48) CYP2C8PPARGMAPTAKR1C3AKR1C2
SCHEMBL862217 0.86 PPARG (0.43) CYP2C8PPARGMAPTTP53PTGS2
SCHEMBL862166 0.85 CYP2C8 (0.42) CYP2C8PPARGAKR1C3AKR1C2KMT2A
SCHEMBL862560 0.85 FLT1 (0.42) CYP2C8PPARGAKR1C3AKR1C2KMT2A
SCHEMBL831268 0.85 CYP2C8 (0.45) CYP2C8PPARGMAPTKMT2AMEN1
SCHEMBL862164 0.85 CYP2C8 (0.42) CYP2C8PPARGMAPTKMT2AMEN1
SCHEMBL862473 0.85 CYP2C8 (0.43) CYP2C8MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 ALPL 4279/4885CYP2C8 847/4885PPARG 4093/4885

“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.