SCHEMBL831954

SCHEMBL831954

CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.43
PPARG P37231 7/20 0.40
DDR1 Q08345 1/20 0.37
TACR1 P25103 1/20 0.36
KMT2A Q03164 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
AKR1B1 P15121 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4A O75164 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGER4 P35408 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
SCHEMBL832381 0.94 CYP2C8 (0.41) CYP2C8PPARGDDR1TACR1KMT2A
SCHEMBL830972 0.93 CYP2C8 (0.42) CYP2C8PPARGDDR1KMT2AGRIN1
SCHEMBL831250 0.93 PPARG (0.45) CYP2C8PPARGDDR1TACR1KMT2A
SCHEMBL831969 0.92 CYP2C8 (0.41) CYP2C8PPARGDDR1PTGDR2AKR1B1
SCHEMBL831412 0.89 CYP2C8 (0.41) CYP2C8PPARGTACR1KMT2A
SCHEMBL831452 0.88 CYP2C8 (0.40) CYP2C8PPARGDDR1KMT2APTGDR2
SCHEMBL12674111 0.87 CYP2C8 (0.55) CYP2C8TACR1KMT2APTGDR2GRIN1
SCHEMBL831874 0.87 PPARG (0.44) CYP2C8PPARGTACR1PTGDR2GRIN1
SCHEMBL831333 0.86 KMT2A (0.41) CYP2C8PPARGDDR1KMT2APTGDR2
SCHEMBL831415 0.86 PPARG (0.46) CYP2C8PPARGDDR1KMT2AGRIN1

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 847/4885PPARG 4093/4885DDR1 4247/4885

“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.