SCHEMBL831437

SCHEMBL831437

COc1cc(C)ccc1S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.41
MAPT P10636 3/20 0.37
KRAS P01116 1/20 0.36
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
PPARG P37231 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
BRD4 O60885 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
POLB P06746 1/20 0.33
PTGES O14684 1/20 0.33

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
SCHEMBL862737 0.89 ALPL (0.41) CYP2C8MAPTPPARGLMNAKMT2A
SCHEMBL862266 0.88 CYP2C8 (0.48) CYP2C8MAPTPPARGPTGDR2KMT2A
SCHEMBL862472 0.87 CYP2C8 (0.43) CYP2C8MAPTPPARGPTGDR2KMT2A
SCHEMBL862131 0.87 PPARG (0.47) CYP2C8MAPTPPARGKMT2A
SCHEMBL862166 0.85 CYP2C8 (0.42) CYP2C8PPARGPTGDR2KMT2A
SCHEMBL862560 0.85 FLT1 (0.42) CYP2C8PPARGPTGDR2KMT2A
SCHEMBL831268 0.85 CYP2C8 (0.45) CYP2C8MAPTPPARGPTGDR2KMT2A
SCHEMBL862473 0.85 CYP2C8 (0.43) CYP2C8MAPTPTGDR2PTGES2KMT2A
SCHEMBL862164 0.85 CYP2C8 (0.42) CYP2C8MAPTPPARGPTGDR2KMT2A
SCHEMBL862717 0.85 CYP2C8 (0.42) CYP2C8PPARGPTGDR2KMT2A

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 4 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-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
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 CYP2C8 847/4885MAPT 1047/4885KRAS 3644/4885

“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.