SCHEMBL831412

SCHEMBL831412

Cc1ccccc1Cn1c(C(=O)NS(=O)(=O)C2CC2)c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.41
SCN9A Q15858 8/20 0.40
SCN5A Q14524 6/20 0.40
PPARG P37231 5/20 0.39
SCN2B O60939 4/20 0.38
SCN1B Q07699 4/20 0.38
SCN1A P35498 3/20 0.38
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
CCR2 P41597 1/20 0.34
TACR1 P25103 1/20 0.34
KMT2A Q03164 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
SCHEMBL832018 0.94 SCN9A (0.39) CYP2C8SCN9ASCN5APPARGSCN2B
SCHEMBL832124 0.93 SCN9A (0.39) CYP2C8SCN9ASCN5APPARGSCN2B
SCHEMBL831050 0.93 SCN9A (0.41) CYP2C8SCN9ASCN5APPARGSCN2B
SCHEMBL831250 0.90 PPARG (0.45) CYP2C8SCN9ASCN5APPARGSCN2B
SCHEMBL832019 0.90 KMT2A (0.39) CYP2C8SCN9ASCN5APPARGDCUN1D1
SCHEMBL831954 0.89 CYP2C8 (0.43) CYP2C8PPARGTACR1KMT2A
SCHEMBL831666 0.89 SCN9A (0.39) CYP2C8SCN9ASCN5APPARGSCN2B
SCHEMBL831488 0.88 SCN9A (0.40) CYP2C8SCN9ASCN5APPARGSCN2B
SCHEMBL831968 0.87 CYP2C8 (0.40) CYP2C8SCN9ASCN5AKMT2A
SCHEMBL862459 0.86 SCN9A (0.39) CYP2C8SCN9ASCN5APPARGSCN2B

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 3807/4885SCN5A 1398/4885

“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.