SCHEMBL862244

SCHEMBL862244

COc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(C4CC4)ccc3n2Cc2ccnc(N)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.43
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
FBP1 P09467 1/20 0.35
SERPINE1 P05121 1/20 0.33
F2 P00734 2/20 0.33
F10 P00742 2/20 0.33
FABP4 P15090 1/20 0.33
AOC3 Q16853 1/20 0.33
PLA2G2A P14555 2/20 0.33
MCL1 Q07820 1/20 0.32
ADAM17 P78536 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL832300 0.90 PPARG (0.45) PPARGFBP1SERPINE1MCL1
SCHEMBL831806 0.90 PPARG (0.45) PPARGFBP1SERPINE1MCL1ADAM17
SCHEMBL862701 0.88 PPARG (0.48) PPARGFBP1SERPINE1PLA2G2AADAM17
SCHEMBL13395060 0.83 PPARG (0.39) PPARGFBP1MCL1
SCHEMBL12673732 0.83 CYP2C8 (0.41) PPARGFABP4HRH3
SCHEMBL832261 0.82 FLT1 (0.41) PPARGSERPINE1MCL1
SCHEMBL10257291 0.82 SERPINE1 (0.46) PPARGSERPINE1MCL1
SCHEMBL831130 0.82 KMT2A (0.39) PPARGSERPINE1MCL1
SCHEMBL832479 0.82 KMT2A (0.38) PPARGSERPINE1MCL1
SCHEMBL831140 0.81 KMT2A (0.38) PPARGSERPINE1MCL1

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 PPARG 4093/4885PPARD 3217/4885PPARA 3859/4885

“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.