SCHEMBL831770

SCHEMBL831770

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
FBP1 P09467 3/20 0.37
F2RL3 Q96RI0 2/20 0.37
CYP2C8 P10632 1/20 0.37
ADAM17 P78536 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
TP53 P04637 2/20 0.35
KCNK3 O14649 1/20 0.35
KCNK5 O95279 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNK17 Q96T54 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL862485 0.93 PPARG (0.49) PPARGFBP1F2RL3CYP2C8ADAM17
SCHEMBL831802 0.92 PPARG (0.47) PPARGFBP1F2RL3CYP2C8ADAM17
SCHEMBL830993 0.90 CYP2C8 (0.39) PPARGF2RL3CYP2C8PTGDR2
SCHEMBL831988 0.90 PPARG (0.55) PPARGFBP1F2RL3CYP2C8AKR1C3
SCHEMBL862496 0.88 PPARG (0.38) PPARGFBP1F2RL3CYP2C8PTGDR2
SCHEMBL831730 0.87 PPARG (0.43) PPARGF2RL3CYP2C8TP53KCNK3
SCHEMBL10257342 0.86 SERPINE1 (0.43) PPARGF2RL3CYP2C8PTGDR2
SCHEMBL862131 0.86 PPARG (0.47) PPARGFBP1CYP2C8AKR1C3AKR1C2
SCHEMBL862899 0.85 PPARG (0.42) PPARGFBP1F2RL3CYP2C8
SCHEMBL13395023 0.85 PPARG (0.42) PPARGFBP1CYP2C8ADAM17AKR1C3

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 4093/4885FBP1 3076/4885F2RL3 1782/4885

“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.