SCHEMBL862701

SCHEMBL862701

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.48
SERPINE1 P05121 1/20 0.43
ADAM17 P78536 1/20 0.37
F2RL3 Q96RI0 4/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
FBP1 P09467 1/20 0.35
MMP13 P45452 1/20 0.35
ABL1 P00519 1/20 0.35
PLA2G2A P14555 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL10257291 0.94 SERPINE1 (0.46) PPARGSERPINE1ABL1
SCHEMBL832300 0.91 PPARG (0.45) PPARGSERPINE1FBP1MMP13
SCHEMBL831806 0.91 PPARG (0.45) PPARGSERPINE1ADAM17FBP1
SCHEMBL862413 0.91 PPARG (0.43) PPARGSERPINE1F2RL3MMP13ABL1
SCHEMBL862244 0.88 PPARG (0.43) PPARGSERPINE1ADAM17FBP1PLA2G2A
SCHEMBL12655595 0.85 SERPINE1 (0.44) SERPINE1F2RL3ABL1PLA2G2A
SCHEMBL832261 0.85 FLT1 (0.41) PPARGSERPINE1
SCHEMBL862485 0.84 PPARG (0.49) PPARGSERPINE1ADAM17F2RL3AKR1C3
SCHEMBL832270 0.83 PPARG (0.38) PPARG
SCHEMBL831130 0.83 KMT2A (0.39) PPARGSERPINE1CYP1A2

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 4093/4885SERPINE1 3846/4885ADAM17 2614/4885

“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.