SCHEMBL830972

SCHEMBL830972

CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.42
KMT2A Q03164 4/20 0.41
PPARG P37231 6/20 0.39
DDR1 Q08345 1/20 0.37
ECE1 P42892 2/20 0.37
MEN1 O00255 1/20 0.37
EPHX2 P34913 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARG Q86W56 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL831333 0.93 KMT2A (0.41) CYP2C8KMT2APPARGDDR1ECE1
SCHEMBL831954 0.93 CYP2C8 (0.43) CYP2C8KMT2APPARGDDR1MEN1
SCHEMBL831415 0.93 PPARG (0.46) CYP2C8KMT2APPARGDDR1ECE1
SCHEMBL831139 0.92 CYP2C8 (0.40) CYP2C8KMT2APPARGDDR1ECE1
SCHEMBL831452 0.92 CYP2C8 (0.40) CYP2C8KMT2APPARGDDR1GRIN1
SCHEMBL831141 0.92 PPARG (0.41) CYP2C8KMT2APPARGDDR1ECE1
SCHEMBL831752 0.91 CYP2C8 (0.40) CYP2C8KMT2APPARGDDR1ECE1
SCHEMBL832547 0.91 CYP2C8 (0.41) CYP2C8KMT2APPARGDDR1ECE1
SCHEMBL832679 0.91 CYP2C8 (0.39) CYP2C8KMT2APPARGDDR1ECE1
SCHEMBL831591 0.90 CYP2C8 (0.39) CYP2C8KMT2APPARGDDR1ECE1

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 CYP2C8 847/4885KMT2A 321/4885PPARG 4093/4885

“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.