SCHEMBL831531

SCHEMBL831531

Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.48
KMT2A Q03164 3/20 0.43
PPARG P37231 3/20 0.38
EPHX2 P34913 1/20 0.38
SCN9A Q15858 5/20 0.36
SCN2B O60939 2/20 0.35
SCN1B Q07699 2/20 0.35
SCN5A Q14524 2/20 0.35
MEN1 O00255 1/20 0.35
GNRHR P30968 3/20 0.34
RBP4 P02753 1/20 0.34
ECE1 P42892 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL831486 0.92 CYP2C8 (0.47) CYP2C8KMT2APPARGEPHX2MEN1
SCHEMBL831202 0.91 CYP2C8 (0.57) CYP2C8KMT2APPARGSCN9ASCN2B
SCHEMBL831123 0.90 CYP2C8 (0.46) CYP2C8KMT2AEPHX2SCN9ASCN2B
SCHEMBL12673695 0.88 CYP2C8 (0.61) CYP2C8KMT2AEPHX2MEN1GNRHR
SCHEMBL831415 0.87 PPARG (0.46) CYP2C8KMT2APPARGEPHX2SCN9A
SCHEMBL831577 0.86 CYP2C8 (0.46) CYP2C8KMT2APPARGSCN9ASCN2B
SCHEMBL862176 0.86 CYP2C8 (0.48) CYP2C8KMT2APPARGEPHX2SCN9A
SCHEMBL862215 0.84 PPARG (0.43) CYP2C8KMT2APPARGSCN9ASCN5A
SCHEMBL832104 0.84 CYP2C8 (0.44) CYP2C8KMT2APPARGMEN1GNRHR
SCHEMBL831693 0.84 CYP2C8 (0.42) CYP2C8KMT2APPARGEPHX2MEN1

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.