SCHEMBL862564

SCHEMBL862564

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.36
PPARG P37231 3/20 0.35
PTGER1 P34995 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
BRD4 O60885 3/20 0.33
MAPK8 P45983 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
EP300 Q09472 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TBXA2R P21731 1/20 0.31
F2 P00734 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10254940 0.93 CYP2C8 (0.38) CYP2C8PPARGPTGDR2BRD4LOXL2
SCHEMBL862901 0.92 CYP2C8 (0.39) CYP2C8PPARGPTGDR2BRD4LOXL2
SCHEMBL862897 0.91 PPARG (0.37) CYP2C8PPARGPTGDR2BRD4LOXL2
SCHEMBL862323 0.91 PPARG (0.42) CYP2C8PPARGKMT2A
SCHEMBL862899 0.91 PPARG (0.42) CYP2C8PPARGBRD4
SCHEMBL862601 0.91 EPHX2 (0.40) CYP2C8PPARGPTGDR2BRD4LOXL2
SCHEMBL862753 0.90 PPARG (0.38) CYP2C8PPARGPTGDR2BRD4LOXL2
SCHEMBL862346 0.90 PPARG (0.40) CYP2C8PPARGBRD4
SCHEMBL862496 0.90 PPARG (0.38) CYP2C8PPARGPTGDR2BRD4LOXL2
SCHEMBL10255439 0.90 CYP2C8 (0.35) CYP2C8PPARGPTGDR2BRD4LOXL2

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 CYP2C8 847/4885PPARG 4093/4885PTGER1 2797/4885

“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.