SCHEMBL862899

SCHEMBL862899

COc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)c1cccc(NS(C)(=O)=O)c1)n2Cc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.42
FBP1 P09467 5/20 0.36
CYP2C8 P10632 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
HTR6 P50406 1/20 0.34
EDNRB P24530 1/20 0.34
BRD4 O60885 1/20 0.34
CYP3A4 P08684 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
SCHEMBL862346 0.94 PPARG (0.40) PPARGFBP1CYP2C8F2RL3BRD4
SCHEMBL862496 0.94 PPARG (0.38) PPARGFBP1CYP2C8F2RL3BRD4
SCHEMBL862753 0.94 PPARG (0.38) PPARGFBP1CYP2C8F2RL3EDNRB
SCHEMBL10254940 0.91 CYP2C8 (0.38) PPARGCYP2C8BRD4CYP3A4
SCHEMBL862564 0.91 CYP2C8 (0.36) PPARGCYP2C8BRD4
SCHEMBL862901 0.91 CYP2C8 (0.39) PPARGFBP1CYP2C8ALDH1A1BRD4
SCHEMBL862897 0.90 PPARG (0.37) PPARGCYP2C8BRD4CYP3A4
SCHEMBL862323 0.90 PPARG (0.42) PPARGCYP2C8
SCHEMBL862601 0.90 EPHX2 (0.40) PPARGCYP2C8BRD4CYP3A4
SCHEMBL831730 0.89 PPARG (0.43) PPARGCYP2C8F2RL3HTR6EDNRB

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 4093/4885FBP1 3076/4885CYP2C8 847/4885

“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.