SCHEMBL831578

SCHEMBL831578

O=C(NS(=O)(=O)C1CCC1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.38
SCN5A Q14524 4/20 0.38
CYP2C8 P10632 1/20 0.36
PPARG P37231 4/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.34
DDR1 Q08345 3/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
TNIK Q9UKE5 1/20 0.32
SCN2B O60939 1/20 0.32
SCN1A P35498 1/20 0.32
SCN1B Q07699 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
SCHEMBL831488 0.97 SCN9A (0.40) SCN9ASCN5ACYP2C8PPARGPTGDR2
SCHEMBL832019 0.93 KMT2A (0.39) SCN9ASCN5ACYP2C8PPARGGRIN1
SCHEMBL832000 0.91 CYP2C8 (0.38) SCN9ASCN5ACYP2C8PTGDR2PER2
SCHEMBL831763 0.90 CYP2C8 (0.40) SCN9ASCN5ACYP2C8PTGDR2SCN2B
SCHEMBL831050 0.90 SCN9A (0.41) SCN9ASCN5ACYP2C8PPARGGRIN1
SCHEMBL832029 0.88 PPARG (0.43) SCN9ASCN5ACYP2C8PPARGPTGDR2
SCHEMBL831906 0.88 SCN9A (0.38) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL862459 0.88 SCN9A (0.39) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL8859096 0.88 SCN9A (0.39) SCN9ASCN5ACYP2C8PPARGPTGDR2
SCHEMBL831452 0.88 CYP2C8 (0.40) CYP2C8PPARGPTGDR2DDR1GRIN1

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 1398/4885CYP2C8 847/4885

“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.