SCHEMBL5791085

SCHEMBL5791085

COc1ccc(S(=O)(=O)N2Cc3cc(C#N)ccc3NCC2Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 8/20 0.59
▸ FNTB P49356 8/20 0.59
▸ HRAS P01112 1/20 0.42
▸ KRAS P01116 1/20 0.42
▸ PGGT1B P53609 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ MMP8 P22894 2/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ MMP1 P03956 2/20 0.40
▸ MMP7 P09237 2/20 0.40
▸ MMP9 P14780 2/20 0.40

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
SCHEMBL5791079 1.00 FNTA (0.59) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5787326 0.91 FNTA (0.59) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5787316 0.91 FNTA (0.59) FNTAFNTBHRASKRASPGGT1B
SCHEMBL7674549 0.90 FNTA (0.53) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6615448 0.88 FNTA (0.53) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6615441 0.88 FNTA (0.53) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6639321 0.88 FNTA (0.51) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6634461 0.85 FNTA (0.49) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6614927 0.85 FNTA (0.49) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5755209 0.85 FNTA (0.53) FNTAFNTBHRASKRASPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074921-B2 Process for the preparation of 3,7-disubstituted-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine compounds BRISTOL MYERS SQUIBB COMPANY (US) 2006-07-11 — — US claimed
EP-1443936-A4 PROCESS FOR THE PREPARATION OF 3,7-DISUBSTITUTED-2,3,4,5- TETRAHYDRO-1H-1,4-BENZODIAZEPINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2006-01-11 — — EP claimed
EP-1443936-A2 PROCESS FOR THE PREPARATION OF 3,7-DISUBSTITUTED-2,3,4,5- TETRAHYDRO-1H-1,4-BENZODIAZEPINE COMPOUNDS Bristol-Myers Squibb Company (US) 2004-08-11 — — EP claimed
US-20030162965-A1 Process for the preparation of 3,7-disubstituted-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine compounds BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 — — US claimed
WO-2003041658-A2 PROCESS FOR THE PREPARATION OF 3,7-DISUBSTITUTED-2,3,4,5- TETRAHYDRO-1H-1,4-BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-22 — — WO claimed
US-7074921-B2 Process for the preparation of 3,7-disubstituted-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine compounds BRISTOL MYERS SQUIBB COMPANY (US) 2006-07-11 — — US disclosed
US-20030162965-A1 Process for the preparation of 3,7-disubstituted-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine compounds BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 — — 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-20030162965-A1 Process for the preparation of 3,7-disubstituted-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine compounds GABRA4, GABRA3, GABRA6 FNTA 43/4885FNTB 27/4885HRAS 3246/4885

“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.

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