SCHEMBL862439

SCHEMBL862439

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.45
SERPINE1 P05121 1/20 0.43
SCN5A Q14524 2/20 0.41
SCN7A Q01118 1/20 0.41
SCN9A Q15858 2/20 0.40
ABL1 P00519 1/20 0.40
KMT2A Q03164 1/20 0.39
PTGES O14684 1/20 0.39
CYP2C8 P10632 1/20 0.39
MCL1 Q07820 1/20 0.38
MAPK8 P45983 2/20 0.38
GCGR P47871 2/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL10257184 0.93 PPARG (0.47) PPARGSERPINE1KMT2APTGESMCL1
SCHEMBL862434 0.91 PPARG (0.48) PPARGKMT2ACYP2C8MCL1MAPK8
SCHEMBL862037 0.91 KMT2A (0.44) PPARGKMT2ACYP2C8MCL1MAPK8
SCHEMBL10255644 0.91 PPARG (0.46) PPARGSCN5ASCN9AKMT2ACYP2C8
SCHEMBL862375 0.90 KMT2A (0.44) PPARGKMT2ACYP2C8MCL1MAPK8
SCHEMBL830979 0.90 PPARG (0.41) PPARGSCN9AKMT2ACYP2C8MCL1
SCHEMBL862122 0.89 MAPK8 (0.42) PPARGKMT2ACYP2C8MCL1MAPK8
SCHEMBL862622 0.89 CYP2C8 (0.42) PPARGKMT2ACYP2C8MCL1MAPK8
SCHEMBL862156 0.89 KMT2A (0.42) PPARGKMT2ACYP2C8MCL1MAPK8
SCHEMBL862357 0.89 KMT2A (0.44) PPARGKMT2APTGESCYP2C8MCL1

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 3846/4885SCN5A 1398/4885

“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.