SCHEMBL17044708

SCHEMBL17044708

COc1ccc(C2=NC(NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(=O)O)C(=O)Nc3ccccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 20/20 0.71
NOTCH3 Q9UM47 13/20 0.71
RBPJ Q06330 7/20 0.69

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
SCHEMBL17044698 1.00 NOTCH1 (0.71) NOTCH1NOTCH3RBPJ
SCHEMBL15608322 0.92 NOTCH1 (0.83) NOTCH1NOTCH3RBPJ
SCHEMBL29412715 0.92 NOTCH1 (0.83) NOTCH1NOTCH3RBPJ
SCHEMBL15608323 0.92 NOTCH1 (0.83) NOTCH1NOTCH3RBPJ
SCHEMBL17044704 0.92 NOTCH1 (0.72) NOTCH1NOTCH3RBPJ
SCHEMBL15628244 0.92 NOTCH1 (0.72) NOTCH1NOTCH3RBPJ
SCHEMBL17044707 0.92 NOTCH1 (0.72) NOTCH1NOTCH3RBPJ
SCHEMBL12543210 0.91 NOTCH1 (0.77) NOTCH1NOTCH3RBPJ
SCHEMBL12542776 0.91 NOTCH1 (0.77) NOTCH1NOTCH3RBPJ
SCHEMBL15628274 0.90 NOTCH1 (0.67) NOTCH1NOTCH3RBPJ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897946-B1 N-SUBSTITUTED BIS(FLUOROALKKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
US-9242940-B2 N-substituted bis(fluoroalkyl)-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-20150246892-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 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-20150246892-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, CNKSR1 NOTCH1 11/4885NOTCH3 6/4885RBPJ 131/4885

“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.