SCHEMBL862217

SCHEMBL862217

COc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
CYP2C8 P10632 1/20 0.40
EDNRB P24530 2/20 0.38
TP53 P04637 2/20 0.36
SCN9A Q15858 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
MAPT P10636 1/20 0.35
HTR6 P50406 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 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
SCHEMBL831730 0.94 PPARG (0.43) PPARGCYP2C8EDNRBTP53MAPT
SCHEMBL830885 0.92 EDNRB (0.40) PPARGCYP2C8EDNRBTP53SCN9A
SCHEMBL10257585 0.92 PPARG (0.40) PPARGCYP2C8SCN9APTGDR2CYP1A2
SCHEMBL10261596 0.92 PPARG (0.46) PPARGCYP2C8EDNRBTP53MAPT
SCHEMBL831198 0.90 CYP2C8 (0.43) PPARGCYP2C8SCN9APTGDR2
SCHEMBL831268 0.90 CYP2C8 (0.45) PPARGCYP2C8SCN9AMAPTPTGDR2
SCHEMBL831053 0.89 CYP2C8 (0.41) PPARGCYP2C8SCN9APTGDR2
SCHEMBL830764 0.89 PPARG (0.48) PPARGEDNRBTP53SCN9AAKR1C3
SCHEMBL862182 0.88 CYP2C8 (0.40) PPARGCYP2C8EDNRBSCN9APTGDR2
SCHEMBL12673728 0.88 CYP2C8 (0.51) CYP2C8EDNRBTP53MAPTKDM4E

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 4093/4885CYP2C8 847/4885EDNRB 1094/4885

“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.