SCHEMBL862485

SCHEMBL862485

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.49
F2RL3 Q96RI0 5/20 0.45
SERPINE1 P05121 1/20 0.40
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
ADAM17 P78536 1/20 0.37
CYP2C8 P10632 1/20 0.37
FBP1 P09467 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10257342 0.94 SERPINE1 (0.43) PPARGF2RL3SERPINE1CYP2C8CYP2D6
SCHEMBL831770 0.93 PPARG (0.46) PPARGF2RL3AKR1C3AKR1C2ADAM17
SCHEMBL831988 0.92 PPARG (0.55) PPARGF2RL3SERPINE1AKR1C3AKR1C2
SCHEMBL831802 0.92 PPARG (0.47) PPARGF2RL3AKR1C3AKR1C2ADAM17
SCHEMBL862333 0.90 F2RL3 (0.45) PPARGF2RL3SERPINE1CYP2C8CYP2D6
SCHEMBL862346 0.88 PPARG (0.40) PPARGF2RL3SERPINE1CYP2C8FBP1
SCHEMBL10255442 0.88 F2RL3 (0.39) PPARGF2RL3SERPINE1CYP2C8FBP1
SCHEMBL831730 0.87 PPARG (0.43) PPARGF2RL3CYP2C8
SCHEMBL862131 0.86 PPARG (0.47) PPARGAKR1C3AKR1C2CYP2C8FBP1
SCHEMBL862136 0.85 SERPINE1 (0.43) PPARGSERPINE1AKR1C3AKR1C2CYP2C8

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 2 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-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 4093/4885F2RL3 1782/4885SERPINE1 3846/4885

“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.