SCHEMBL862206

SCHEMBL862206

Cc1ccccc1Cn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2cc(OC(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.43
PPARG P37231 5/20 0.42
CHRM5 P08912 1/20 0.42
SERPINE1 P05121 1/20 0.38
SCN9A Q15858 3/20 0.38
ABL1 P00519 1/20 0.38
SCN5A Q14524 1/20 0.38
F2RL3 Q96RI0 5/20 0.37
CYP2C9 P11712 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
PLA2G2A P14555 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL862215 0.93 PPARG (0.43) CYP2C8PPARGSERPINE1SCN9AABL1
SCHEMBL831250 0.89 PPARG (0.45) CYP2C8PPARGSCN9ASCN5AKMT2A
SCHEMBL12674025 0.89 CYP2C8 (0.53) CYP2C8CHRM5SERPINE1ABL1F2RL3
SCHEMBL10257585 0.89 PPARG (0.40) CYP2C8PPARGSERPINE1SCN9AABL1
SCHEMBL862333 0.89 F2RL3 (0.45) CYP2C8PPARGCHRM5SERPINE1SCN9A
SCHEMBL831903 0.88 CYP2C8 (0.45) CYP2C8PPARGSCN9ASCN5ACYP2C9
SCHEMBL861889 0.87 CYP2C8 (0.43) CYP2C8PPARGSCN9AKDM4EMEN1
SCHEMBL831532 0.86 CYP2C8 (0.47) CYP2C8SCN9ASCN5ACYP1A2KDM4E
SCHEMBL10261596 0.85 PPARG (0.46) CYP2C8PPARGPLA2G2AMEN1MAPT
SCHEMBL862036 0.85 PPARG (0.48) PPARGSERPINE1SCN9AABL1SCN5A

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 CYP2C8 847/4885PPARG 4093/4885CHRM5 3032/4885

“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.