SCHEMBL862601

SCHEMBL862601

CC(C)(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)c1cccc(NS(C)(=O)=O)c1)n2Cc1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
SERPINE1 P05121 1/20 0.38
PPARG P37231 7/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C8 P10632 1/20 0.35
BRD4 O60885 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
EP300 Q09472 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ECE1 P42892 1/20 0.32

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 0.95 PPARG (0.42) EPHX2PPARGCYP2C8
SCHEMBL10254940 0.91 CYP2C8 (0.38) PPARGCYP3A4CYP2C8BRD4LOXL2
SCHEMBL862901 0.91 CYP2C8 (0.39) PPARGCYP2C8BRD4LOXL2PTGDR2
SCHEMBL862564 0.91 CYP2C8 (0.36) PPARGCYP2C8BRD4LOXL2PTGDR2
SCHEMBL862897 0.90 PPARG (0.37) SERPINE1PPARGCYP3A4CYP2C8BRD4
SCHEMBL862346 0.90 PPARG (0.40) EPHX2SERPINE1PPARGCYP2C8BRD4
SCHEMBL862899 0.90 PPARG (0.42) PPARGCYP3A4CYP2C8BRD4
SCHEMBL831319 0.89 CYP2C8 (0.40) EPHX2SERPINE1PPARGCYP3A4CYP2C8
SCHEMBL862494 0.89 PPARG (0.42) EPHX2PPARGCYP2C8BRD4EP300
SCHEMBL10255439 0.88 CYP2C8 (0.35) EPHX2PPARGCYP2C8BRD4LOXL2

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 EPHX2 3119/4885SERPINE1 3846/4885PPARG 4093/4885

“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.