SCHEMBL831648

SCHEMBL831648

O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc2ccccc2nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.56
SCN9A Q15858 5/20 0.35
SCN5A Q14524 4/20 0.35
KMT2A Q03164 3/20 0.34
CRHR1 P34998 1/20 0.34
PPARG P37231 6/20 0.33
SCN2B O60939 1/20 0.32
SCN1A P35498 1/20 0.32
SCN1B Q07699 1/20 0.32
PTGER4 P35408 1/20 0.32
S1PR1 P21453 1/20 0.32
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RCE1 Q9Y256 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
SCHEMBL831987 0.90 CYP2C8 (0.60) CYP2C8SCN9ASCN5AKMT2APPARG
SCHEMBL832872 0.90 CYP2C8 (0.60) CYP2C8SCN9ASCN5AKMT2ASCN2B
SCHEMBL831122 0.90 CYP2C8 (0.59) CYP2C8SCN9AKMT2ASCN2BSCN1A
SCHEMBL831547 0.89 CYP2C8 (0.56) CYP2C8KMT2APTGER4FAAHALDH1A1
SCHEMBL831646 0.87 CYP2C8 (0.74) CYP2C8SCN9ASCN5AKMT2ASCN2B
SCHEMBL862278 0.87 CYP2C8 (0.64) CYP2C8SCN9ASCN5AKMT2ASCN1A
SCHEMBL831050 0.87 SCN9A (0.41) CYP2C8SCN9ASCN5AKMT2APPARG
SCHEMBL831650 0.86 CYP2C8 (0.65) CYP2C8SCN9ASCN5AKMT2ASCN2B
SCHEMBL12665637 0.86 CYP2C8 (0.74) CYP2C8KMT2AFAAHRCE1
SCHEMBL831412 0.85 CYP2C8 (0.41) CYP2C8SCN9ASCN5AKMT2APPARG

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 5 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

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.