SCHEMBL831802

SCHEMBL831802

COc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(C)ccc3n2Cc2ccc(F)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.47
CYP2C8 P10632 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.36
KCNA5 P22460 2/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FBP1 P09467 2/20 0.36
AKR1B1 P15121 1/20 0.36
ADAM17 P78536 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK5 O95279 1/20 0.36
KCNK17 Q96T54 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
F2RL3 Q96RI0 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
SCHEMBL831770 0.92 PPARG (0.46) PPARGCYP2C8PTGDR2KCNA5TP53
SCHEMBL862485 0.92 PPARG (0.49) PPARGCYP2C8FBP1ADAM17AKR1C3
SCHEMBL831988 0.91 PPARG (0.55) PPARGCYP2C8PTGDR2FBP1AKR1B1
SCHEMBL831196 0.87 CYP2C8 (0.43) PPARGCYP2C8PTGDR2RXFP1
SCHEMBL862131 0.87 PPARG (0.47) PPARGCYP2C8TP53FBP1AKR1C3
SCHEMBL831730 0.87 PPARG (0.43) PPARGCYP2C8PTGDR2KCNA5TP53
SCHEMBL13395023 0.86 PPARG (0.42) PPARGCYP2C8KCNA5TP53FBP1
SCHEMBL10254940 0.85 CYP2C8 (0.38) PPARGCYP2C8PTGDR2
SCHEMBL862899 0.85 PPARG (0.42) PPARGCYP2C8FBP1F2RL3
SCHEMBL10257342 0.85 SERPINE1 (0.43) PPARGCYP2C8PTGDR2F2RL3

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 847/4885PTGDR2 1609/4885

“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.