SCHEMBL831754

SCHEMBL831754

Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(C(=O)OC(C)(C)C)ccc3F)c2cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.46
SCN9A Q15858 14/20 0.35
SCN2B O60939 6/20 0.34
SCN1B Q07699 6/20 0.34
SCN5A Q14524 6/20 0.34
SCN1A P35498 3/20 0.34
AURKA O14965 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RORC P51449 1/20 0.32
MGAT2 Q10469 1/20 0.31
KMT2A Q03164 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
SCHEMBL832003 0.90 CYP2C8 (0.48) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL831384 0.89 CYP2C8 (0.47) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL10257171 0.88 CYP2C8 (0.51) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL831949 0.88 CYP2C8 (0.51) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL832291 0.87 CYP2C8 (0.46) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL831380 0.87 CYP2C8 (0.54) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL831673 0.85 CYP2C8 (0.48) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL8860835 0.84 CYP2C8 (0.47) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL831310 0.84 CYP2C8 (0.52) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL10255265 0.83 CYP2C8 (0.40) CYP2C8SCN9ASCN2BSCN1BSCN5A

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 847/4885SCN9A 3807/4885SCN2B 3005/4885

“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.