SCHEMBL862483

SCHEMBL862483

CS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccnc(Cl)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.37
PPARG P37231 4/20 0.37
KMT2A Q03164 3/20 0.36
SERPINE1 P05121 3/20 0.35
RCE1 Q9Y256 1/20 0.35
CYP2C8 P10632 1/20 0.35
TDP2 O95551 1/20 0.34
CYP3A4 P08684 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAPK8 P45983 1/20 0.33
SCN3A Q9NY46 1/20 0.33
P2RX7 Q99572 1/20 0.33
MEN1 O00255 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
SCHEMBL10257520 0.94 MCL1 (0.37) MCL1PPARGKMT2ASERPINE1RCE1
SCHEMBL862343 0.93 MCL1 (0.37) MCL1PPARGKMT2ASERPINE1RCE1
SCHEMBL862296 0.92 PPARG (0.41) MCL1PPARGKMT2ASERPINE1RCE1
SCHEMBL862488 0.90 SERPINE1 (0.38) MCL1PPARGKMT2ASERPINE1RCE1
SCHEMBL10257144 0.89 SERPINE1 (0.38) MCL1PPARGKMT2ASERPINE1RCE1
SCHEMBL862192 0.89 PPARG (0.39) MCL1PPARGKMT2ASERPINE1RCE1
SCHEMBL862329 0.88 PPARG (0.40) MCL1PPARGKMT2ASERPINE1CYP2C8
SCHEMBL862443 0.88 TDP2 (0.36) PPARGKMT2ACYP2C8TDP2MEN1
SCHEMBL862708 0.88 CYP2C8 (0.38) PPARGKMT2ASERPINE1CYP2C8TDP2
SCHEMBL862454 0.88 CYP2C8 (0.39) PPARGKMT2ASERPINE1CYP2C8TDP2

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 MCL1 872/4885PPARG 4093/4885KMT2A 321/4885

“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.