SCHEMBL832279

SCHEMBL832279

Cc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.36
SCN9A Q15858 5/20 0.36
SCN5A Q14524 4/20 0.36
MOGAT2 Q3SYC2 3/20 0.36
CYP2C9 P11712 3/20 0.36
SCN2B O60939 2/20 0.36
SCN1B Q07699 2/20 0.36
SCN1A P35498 1/20 0.36
EPHX2 P34913 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGDR Q13258 1/20 0.34
MGAT2 Q10469 1/20 0.33
PPARG P37231 1/20 0.33
HRH1 P35367 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
SCHEMBL831314 0.94 SCN9A (0.36) PTGDR2SCN9ASCN5AMOGAT2CYP2C9
SCHEMBL831568 0.92 PTGDR2 (0.36) PTGDR2SCN9ASCN5AMOGAT2CYP2C9
SCHEMBL832286 0.88 PTGDR2 (0.37) PTGDR2CYP2C9CYP1A2CYP3A4CYP2C8
SCHEMBL831856 0.86 OPRM1 (0.38) PTGDR2RXFP1ALDH1A1
SCHEMBL832091 0.86 MOGAT2 (0.35) SCN9ASCN5AMOGAT2CYP2C9SCN2B
SCHEMBL831032 0.86 PTGDR2 (0.36) PTGDR2SCN9ASCN5AMOGAT2CYP2C9
SCHEMBL832157 0.83 KMT2A (0.38) PTGDR2SCN9ASCN5AMOGAT2CYP2C9
SCHEMBL831741 0.82 CYP2C8 (0.41) PTGDR2SCN9ASCN5AMOGAT2CYP2C9
SCHEMBL831401 0.81 PTGDR2 (0.38) PTGDR2SCN9ASCN5ACYP2C9SCN2B
SCHEMBL832284 0.81 PTGDR2 (0.34) PTGDR2CYP2C9CYP2C8PTGDRRXFP1

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 PTGDR2 1609/4885SCN9A 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.