SCHEMBL832695

SCHEMBL832695

O=C(NS(=O)(=O)c1ccc(Cl)s1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.43
CYP2C8 P10632 1/20 0.38
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
AGTR1 P30556 3/20 0.33
AGTR2 P50052 3/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
APP P05067 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
SCHEMBL832399 0.94 PPARG (0.43) PPARGCYP2C8GRIN1GRIN2BPTGDR2
SCHEMBL831979 0.93 PPARG (0.46) PPARGCYP2C8GRIN1GRIN2BAGTR1
SCHEMBL832287 0.92 CYP2C8 (0.39) PPARGCYP2C8AGTR1AGTR2PTGDR2
SCHEMBL832446 0.91 CYP2C8 (0.37) PPARGCYP2C8PTGDR2
SCHEMBL832610 0.87 PPARG (0.45) PPARGCYP2C8PTGDR2
SCHEMBL831566 0.86 PPARG (0.43) PPARGCYP2C8GRIN1GRIN2BPTGDR2
SCHEMBL831896 0.85 CYP2C8 (0.41) PPARGCYP2C8PTGDR2
SCHEMBL831957 0.85 PPARG (0.39) PPARGCYP2C8AGTR1AGTR2PTGDR2
SCHEMBL831988 0.84 PPARG (0.55) PPARGCYP2C8PTGDR2
SCHEMBL862323 0.83 PPARG (0.42) PPARGCYP2C8

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 PPARG 4093/4885CYP2C8 847/4885GRIN1 2446/4885

“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.