SCHEMBL831797

SCHEMBL831797

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc(C(N)=O)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.41
KMT2A Q03164 4/20 0.37
PPARG P37231 2/20 0.35
SCN9A Q15858 7/20 0.35
SCN2B O60939 4/20 0.35
SCN1B Q07699 4/20 0.35
SCN5A Q14524 3/20 0.35
SCN1A P35498 3/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGS1 P23219 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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
SCHEMBL831364 0.93 CYP2C8 (0.45) CYP2C8KMT2APPARGSCN9ASCN2B
SCHEMBL831259 0.91 CYP2C8 (0.39) CYP2C8KMT2APPARGSCN9ASCN2B
SCHEMBL831922 0.91 CYP2C8 (0.42) CYP2C8KMT2APPARGSCN9ASCN2B
SCHEMBL831198 0.91 CYP2C8 (0.43) CYP2C8KMT2APPARGSCN9ASCN2B
SCHEMBL831989 0.90 CYP2C8 (0.39) CYP2C8KMT2ASCN9ASCN2BSCN1B
SCHEMBL862423 0.89 CYP2C8 (0.43) CYP2C8KMT2APPARGSCN9ASCN2B
SCHEMBL831577 0.89 CYP2C8 (0.46) CYP2C8KMT2APPARGSCN9ASCN2B
SCHEMBL832024 0.87 CYP2C8 (0.41) CYP2C8KMT2APPARGSCN9ASCN2B
SCHEMBL831753 0.87 CYP2C8 (0.41) CYP2C8KMT2APPARGSCN9APTGDR2
SCHEMBL831196 0.86 CYP2C8 (0.43) CYP2C8KMT2APPARGSCN9ASCN2B

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.