Sugi Predict

Sugi Predict / Compounds / SCHEMBL831741

SCHEMBL831741

SCHEMBL831741

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C8 P10632 1/20 0.41
▸ SCN9A Q15858 5/20 0.38
▸ SCN5A Q14524 4/20 0.38
▸ SCN2B O60939 2/20 0.38
▸ SCN1B Q07699 2/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ AURKA O14965 1/20 0.36
▸ TPX2 Q9ULW0 1/20 0.36
▸ PTGDR2 Q9Y5Y4 5/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP2C9 P11712 2/20 0.33
▸ MOGAT2 Q3SYC2 2/20 0.33
▸ MGAT2 Q10469 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ MRGPRX1 Q96LB2 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL10256456 0.96 CYP2C8 (0.42) CYP2C8SCN9ASCN5ASCN2BSCN1B
SCHEMBL831763 0.95 CYP2C8 (0.40) CYP2C8SCN9ASCN5ASCN2BSCN1B
SCHEMBL10256969 0.94 CYP2C8 (0.41) CYP2C8SCN9ASCN5ASCN2BSCN1B
SCHEMBL831674 0.92 CYP2C8 (0.43) CYP2C8SCN9ASCN5ASCN2BSCN1B
SCHEMBL831189 0.92 CYP2C8 (0.39) CYP2C8SCN9ASCN5ASCN2BSCN1B
SCHEMBL10257265 0.92 CYP2C8 (0.41) CYP2C8SCN9ASCN5ASCN2BSCN1B
SCHEMBL831989 0.91 CYP2C8 (0.39) CYP2C8SCN9ASCN5ASCN2BSCN1B
SCHEMBL831769 0.91 CYP2C8 (0.39) CYP2C8SCN9ASCN5ASCN2BSCN1B
SCHEMBL831683 0.91 CYP2C8 (0.38) CYP2C8SCN9ASCN5ASCN2BSCN1B
SCHEMBL831949 0.91 CYP2C8 (0.51) CYP2C8SCN9ASCN5ASCN2BSCN1B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 — — EP disclosed
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
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 — — WO 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.