SCHEMBL831693

SCHEMBL831693

CC(C)(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.42
KMT2A Q03164 3/20 0.42
PPARG P37231 1/20 0.39
SERPINE1 P05121 2/20 0.38
DNMT1 P26358 3/20 0.37
ECE1 P42892 6/20 0.37
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL831415 0.94 PPARG (0.46) CYP2C8KMT2APPARGECE1MEN1
SCHEMBL831319 0.92 CYP2C8 (0.40) CYP2C8KMT2APPARGSERPINE1DNMT1
SCHEMBL831502 0.92 CYP2C8 (0.40) CYP2C8KMT2APPARGSERPINE1DNMT1
SCHEMBL831968 0.90 CYP2C8 (0.40) CYP2C8KMT2ASERPINE1DNMT1ECE1
SCHEMBL831577 0.89 CYP2C8 (0.46) CYP2C8KMT2APPARGECE1MEN1
SCHEMBL832113 0.89 CYP2C8 (0.38) CYP2C8KMT2APPARGSERPINE1DNMT1
SCHEMBL831554 0.89 CYP2C8 (0.47) CYP2C8KMT2APPARGMEN1KDM4E
SCHEMBL831347 0.89 CYP2C8 (0.43) CYP2C8KMT2APPARGDNMT1MEN1
SCHEMBL862351 0.88 CYP2C8 (0.43) CYP2C8KMT2APPARGMEN1KDM4E
SCHEMBL12665206 0.87 CYP2C8 (0.54) CYP2C8KMT2ASERPINE1DNMT1ECE1

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 4 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-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
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 847/4885KMT2A 321/4885PPARG 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.