SCHEMBL862397

SCHEMBL862397

CCOc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP2C8 P10632 1/20 0.42
EDNRB P24530 4/20 0.41
KMT2A Q03164 3/20 0.41
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ADAM17 P78536 1/20 0.35
SCN9A Q15858 2/20 0.35
SCN5A Q14524 1/20 0.35
TNIK Q9UKE5 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL830885 0.92 EDNRB (0.40) TP53RXFP1CYP2C8EDNRBPPARG
SCHEMBL831825 0.92 CYP2C8 (0.39) TP53RXFP1CYP2C8EDNRBPPARG
SCHEMBL10261596 0.92 PPARG (0.46) TP53CYP2C8EDNRBKMT2APPARG
SCHEMBL862215 0.91 PPARG (0.43) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL862351 0.88 CYP2C8 (0.43) TP53CYP2C8EDNRBKMT2APPARG
SCHEMBL831577 0.88 CYP2C8 (0.46) TP53RXFP1CYP2C8KMT2APPARG
SCHEMBL12674009 0.88 CYP2C8 (0.53) TP53RXFP1CYP2C8EDNRBKMT2A
SCHEMBL831554 0.87 CYP2C8 (0.47) TP53CYP2C8KMT2APPARGMEN1
SCHEMBL831347 0.87 CYP2C8 (0.43) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL862176 0.86 CYP2C8 (0.48) TP53CYP2C8KMT2APPARGMEN1

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 TP53 789/4885RXFP1 2929/4885CYP2C8 847/4885

“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.