SCHEMBL13325960

SCHEMBL13325960

C=CC[C@H](C(=O)OC(C)(C)C)[C@@H](CC(C)C)C(=O)NC1C(=O)N(C)c2ccccc2N(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTCH1 P46531 4/20 0.47
▸ RBPJ Q06330 3/20 0.47
▸ MMP2 P08253 11/20 0.41
▸ MMP3 P08254 11/20 0.41
▸ MMP7 P09237 10/20 0.41
▸ MMP1 P03956 9/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ PSEN1 P49768 4/20 0.41
▸ PSEN2 P49810 4/20 0.41
▸ APH1B Q8WW43 4/20 0.41
▸ NCSTN Q92542 4/20 0.41
▸ APH1A Q96BI3 4/20 0.41
▸ PSENEN Q9NZ42 4/20 0.41
▸ NOTCH3 Q9UM47 1/20 0.38
▸ SCN9A Q15858 2/20 0.38

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
SCHEMBL8241822 0.90 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8241836 0.90 NOTCH1 (0.49) NOTCH1RBPJMMP2MMP3MMP7
SCHEMBL8241343 0.87 NOTCH1 (0.53) NOTCH1RBPJMMP2MMP3MMP7
SCHEMBL3289472 0.85 NOTCH1 (0.61) NOTCH1RBPJMMP2MMP3MMP7
SCHEMBL13325780 0.83 NOTCH1 (0.66) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL8241274 0.82 CCKBR (0.43) NOTCH1RBPJMMP2MMP3MMP7
SCHEMBL8244299 0.79 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3286164 0.76 PSEN1 (0.64) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL4108341 0.76 PSEN1 (0.64) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL6808424 0.73 MMP2 (0.62) MMP2MMP3MMP7MMP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718795-B2 Succinoylamino benzodiazepines as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-05-18 — — US disclosed
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-12 — — US disclosed
US-7456172-B2 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-25 — — US disclosed
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-08-28 — — US disclosed
US-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-07-17 — — US disclosed
US-7304049-B2 Succinoylaminobenzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 — — 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 (3 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-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's PSEN1, APP, GABRA6 NOTCH1 528/4885RBPJ 3834/4885MMP2 2976/4885
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION GABRA5, APP, GABRE NOTCH1 942/4885RBPJ 1868/4885MMP2 4030/4885
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, GABRE NOTCH1 539/4885RBPJ 2293/4885MMP2 3672/4885

“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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