SCHEMBL862494

SCHEMBL862494

CCS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(C(F)(F)F)ccc3n2Cc2ccc(F)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.42
EPHX2 P34913 1/20 0.36
BRD4 O60885 2/20 0.35
CYP2C8 P10632 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EP300 Q09472 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
SCHEMBL862323 0.94 PPARG (0.42) PPARGEPHX2CYP2C8LMNAKMT2A
SCHEMBL10258012 0.91 CYP2C8 (0.38) PPARGEPHX2BRD4CYP2C8LMNA
SCHEMBL832610 0.89 PPARG (0.45) PPARGCYP2C8
SCHEMBL862601 0.89 EPHX2 (0.40) PPARGEPHX2BRD4CYP2C8EP300
SCHEMBL832158 0.88 PPARG (0.41) PPARGCYP2C8
SCHEMBL862442 0.87 PPARG (0.45) PPARGCYP2C8LMNAKMT2ANPSR1
SCHEMBL862897 0.85 PPARG (0.37) PPARGBRD4CYP2C8KMT2AEP300
SCHEMBL831566 0.85 PPARG (0.43) PPARGCYP2C8
SCHEMBL10254940 0.85 CYP2C8 (0.38) PPARGBRD4CYP2C8KMT2AEP300
SCHEMBL831988 0.85 PPARG (0.55) PPARGCYP2C8

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 4093/4885EPHX2 3119/4885BRD4 65/4885

“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.