SCHEMBL2319477

SCHEMBL2319477

CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C3=Nc4ccc(-c5ccccc5F)cc4NC(=O)C3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
ALOX5AP P20292 1/20 0.52
FEN1 P39748 1/20 0.52
GRM2 Q14416 3/20 0.48
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2317458 0.95 CYP3A4 (0.55) CYP3A4ALOX5APFEN1GRM2RAB9A
SCHEMBL2319817 0.86 CYP3A4 (0.60) CYP3A4GRM2RAB9ASMN1; SMN2
SCHEMBL2315625 0.85 GRM2 (0.67) CYP3A4GRM2
SCHEMBL2317786 0.82 CYP3A4 (0.60) CYP3A4GRM2RAB9ASMN1; SMN2
SCHEMBL5563880 0.82 CYP3A4 (0.69) CYP3A4GRM2
SCHEMBL5557011 0.80 CYP3A4 (0.65) CYP3A4GRM2RAB9ASMN1; SMN2
SCHEMBL5558069 0.79 CYP3A4 (0.66) CYP3A4GRM2
SCHEMBL2317324 0.79 GRM2 (0.66) CYP3A4GRM2
SCHEMBL5563757 0.79 CYP3A4 (0.60) CYP3A4GRM2RAB9ASMN1; SMN2
SCHEMBL5557822 0.79 GRM2 (0.69) CYP3A4GRM2

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-2137167-B1 DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-2137167-A1 DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-12-30 EP disclosed
US-7511033-B2 Dihydro-benzo[B][1,4]diazepin-2-one sulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
WO-2008128889-A1 DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 WO disclosed
US-20080261957-A1 DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-23 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-20080261957-A1 DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, CNR1 CYP3A4 251/4885ALOX5AP 3724/4885FEN1 4852/4885

“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.