SCHEMBL831314

SCHEMBL831314

Cc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.36
SCN5A Q14524 5/20 0.36
MOGAT2 Q3SYC2 3/20 0.36
CYP2C9 P11712 2/20 0.36
SCN2B O60939 2/20 0.36
SCN1B Q07699 2/20 0.36
SCN1A P35498 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.34
MGAT2 Q10469 1/20 0.33
HRH1 P35367 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
HTR7 P34969 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL832279 0.94 PTGDR2 (0.36) SCN9ASCN5AMOGAT2CYP2C9SCN2B
SCHEMBL831032 0.92 PTGDR2 (0.36) SCN9ASCN5AMOGAT2CYP2C9SCN2B
SCHEMBL832091 0.90 MOGAT2 (0.35) SCN9ASCN5AMOGAT2CYP2C9SCN2B
SCHEMBL831741 0.89 CYP2C8 (0.41) SCN9ASCN5AMOGAT2CYP2C9SCN2B
SCHEMBL832284 0.88 PTGDR2 (0.34) CYP2C9PTGDR2CCNT1CDK9ROCK2
SCHEMBL831856 0.86 OPRM1 (0.38) PTGDR2AURKATPX2
SCHEMBL831568 0.86 PTGDR2 (0.36) SCN9ASCN5AMOGAT2CYP2C9SCN2B
SCHEMBL10256456 0.84 CYP2C8 (0.42) SCN9ASCN5AMOGAT2CYP2C9SCN2B
SCHEMBL832157 0.83 KMT2A (0.38) SCN9ASCN5AMOGAT2CYP2C9SCN2B
SCHEMBL8860573 0.83 CYP2C9 (0.31) SCN9ASCN5AMOGAT2CYP2C9SCN2B

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 SCN9A 3807/4885SCN5A 1398/4885MOGAT2 2114/4885

“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.