SCHEMBL831037

SCHEMBL831037

O=C(NS(=O)(=O)C1CCCC1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.42
KMT2A Q03164 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.36
SCN9A Q15858 2/20 0.36
TRPM4 Q8TD43 1/20 0.36
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 4/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
ECE1 P42892 1/20 0.34
KRAS P01116 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 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
SCHEMBL831406 0.97 CYP2C8 (0.43) CYP2C8KMT2APTGDR2SCN9ATRPM4
SCHEMBL10257265 0.90 CYP2C8 (0.41) CYP2C8KMT2APTGDR2SCN9ATRPM4
SCHEMBL831963 0.90 CYP2C8 (0.40) CYP2C8KMT2APTGDR2SCN9AMAPT
SCHEMBL831764 0.89 CYP2C8 (0.42) CYP2C8KMT2APTGDR2SCN9AMAPT
SCHEMBL862159 0.89 KMT2A (0.42) CYP2C8KMT2APTGDR2SCN9AMAPT
SCHEMBL832019 0.88 KMT2A (0.39) CYP2C8KMT2ASCN9ALMNAECE1
SCHEMBL831787 0.88 CYP2C8 (0.40) CYP2C8KMT2APTGDR2MAPTECE1
SCHEMBL831674 0.88 CYP2C8 (0.43) CYP2C8KMT2APTGDR2SCN9AAURKA
SCHEMBL831822 0.87 CYP2C8 (0.45) CYP2C8KMT2ASCN9AAURKATPX2
SCHEMBL831554 0.87 CYP2C8 (0.47) CYP2C8KMT2APTGDR2LMNAMAPT

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 321/4885PTGDR2 1609/4885

“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.