SCHEMBL862176

SCHEMBL862176

CCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.48
KMT2A Q03164 4/20 0.44
PPARG P37231 1/20 0.37
MEN1 O00255 2/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
SCN9A Q15858 3/20 0.35
YWHAH Q04917 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
SCN2B O60939 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN5A Q14524 1/20 0.34
EPHX2 P34913 1/20 0.33
ROCK2 O75116 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL862430 0.92 CYP2C8 (0.45) CYP2C8KMT2APPARGMEN1GRIN1
SCHEMBL831202 0.92 CYP2C8 (0.57) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL862351 0.90 CYP2C8 (0.43) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL862437 0.90 CYP2C8 (0.45) CYP2C8KMT2AMEN1GRIN1GRIN2B
SCHEMBL862423 0.89 CYP2C8 (0.43) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL831577 0.88 CYP2C8 (0.46) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL831554 0.87 CYP2C8 (0.47) CYP2C8KMT2APPARGMEN1KDM4E
SCHEMBL831347 0.87 CYP2C8 (0.43) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL862397 0.86 TP53 (0.44) CYP2C8KMT2APPARGMEN1GRIN1
SCHEMBL831531 0.86 CYP2C8 (0.48) CYP2C8KMT2APPARGMEN1SCN9A

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
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP 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
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO 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.