SCHEMBL831969

SCHEMBL831969

CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.41
PTGDR2 Q9Y5Y4 6/20 0.39
DDR1 Q08345 3/20 0.38
PPARG P37231 6/20 0.36
AKR1B1 P15121 1/20 0.34
CCR2 P41597 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL831952 0.93 PPARG (0.42) CYP2C8PTGDR2DDR1PPARG
SCHEMBL831954 0.92 CYP2C8 (0.43) CYP2C8PTGDR2DDR1PPARGAKR1B1
SCHEMBL832124 0.90 SCN9A (0.39) CYP2C8PTGDR2DDR1PPARGCCR2
SCHEMBL832381 0.89 CYP2C8 (0.41) CYP2C8PTGDR2DDR1PPARGAKR1B1
SCHEMBL830972 0.88 CYP2C8 (0.42) CYP2C8DDR1PPARGGRIN1GRIN2B
SCHEMBL12665284 0.87 CYP2C8 (0.52) CYP2C8PTGDR2DDR1GRIN1GRIN2B
SCHEMBL831452 0.87 CYP2C8 (0.40) CYP2C8PTGDR2DDR1PPARGAKR1B1
SCHEMBL831250 0.85 PPARG (0.45) CYP2C8PTGDR2DDR1PPARGGRIN1
SCHEMBL831523 0.85 CYP2C8 (0.43) CYP2C8PTGDR2PPARGAKR1B1
SCHEMBL831702 0.84 CYP2C8 (0.42) CYP2C8PTGDR2PPARG

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 847/4885PTGDR2 1609/4885DDR1 4247/4885

“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.