SCHEMBL831452

SCHEMBL831452

CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
DDR1 Q08345 5/20 0.39
PPARG P37231 6/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.36
AKR1B1 P15121 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KMT2A Q03164 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
SCHEMBL832029 0.93 PPARG (0.43) CYP2C8DDR1PPARGPTGDR2GRIN1
SCHEMBL830972 0.92 CYP2C8 (0.42) CYP2C8DDR1PPARGGRIN1GRIN2B
SCHEMBL832052 0.90 CYP2C8 (0.42) CYP2C8PTGDR2KMT2A
SCHEMBL861967 0.90 CYP2C8 (0.44) CYP2C8PTGDR2KMT2A
SCHEMBL831814 0.89 CYP2C8 (0.40) CYP2C8PPARGPTGDR2KMT2A
SCHEMBL832484 0.89 CYP2C8 (0.40) CYP2C8PTGDR2AKR1B1KMT2A
SCHEMBL831488 0.89 SCN9A (0.40) CYP2C8DDR1PPARGPTGDR2GRIN1
SCHEMBL831954 0.88 CYP2C8 (0.43) CYP2C8DDR1PPARGPTGDR2AKR1B1
SCHEMBL10265343 0.88 PPARG (0.42) CYP2C8PPARG
SCHEMBL831578 0.88 SCN9A (0.38) CYP2C8DDR1PPARGPTGDR2GRIN1

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 847/4885DDR1 4247/4885PPARG 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.