SCHEMBL5643602

SCHEMBL5643602

C=CC[C@H](C(N)=O)[C@@H](CC1CC1)C(=O)N[C@@H]1C(=O)N(Cc2cccc(-c3ccc4ccccc4c3)c2)c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOTCH1 P46531 2/20 0.40
▸ RBPJ Q06330 2/20 0.40
▸ XIAP P98170 4/20 0.38
▸ PSEN1 P49768 10/20 0.38
▸ PSEN2 P49810 10/20 0.38
▸ APH1B Q8WW43 10/20 0.38
▸ NCSTN Q92542 10/20 0.38
▸ APH1A Q96BI3 10/20 0.38
▸ PSENEN Q9NZ42 10/20 0.38
▸ OXTR P30559 1/20 0.34
▸ BDKRB2 P30411 3/20 0.33

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
SCHEMBL4490375 1.00 NOTCH1 (0.40) NOTCH1RBPJXIAPPSEN1PSEN2
SCHEMBL4490363 0.97 NOTCH1 (0.39) NOTCH1RBPJXIAPPSEN1PSEN2
SCHEMBL4498892 0.97 NOTCH1 (0.39) NOTCH1RBPJXIAPPSEN1PSEN2
SCHEMBL4499813 0.92 XIAP (0.43) NOTCH1RBPJXIAPPSEN1PSEN2
SCHEMBL4489035 0.91 NOTCH1 (0.40) NOTCH1RBPJXIAPPSEN1PSEN2
SCHEMBL4480310 0.90 NOTCH1 (0.51) NOTCH1RBPJXIAPPSEN1PSEN2
SCHEMBL4485642 0.90 NOTCH1 (0.39) NOTCH1RBPJXIAPPSEN1PSEN2
SCHEMBL4476314 0.90 PSEN1 (0.42) NOTCH1RBPJXIAPPSEN1PSEN2
SCHEMBL4485791 0.89 PSEN1 (0.44) NOTCH1RBPJXIAPPSEN1PSEN2
SCHEMBL4486343 0.89 XIAP (0.42) NOTCH1RBPJXIAPPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304055-B2 Succinoylamino lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 — — US disclosed
US-20060258638-A1 Succinoylamino lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-11-16 — — 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-20060258638-A1 Succinoylamino lactams as inhibitors of A-beta protein production BACE1, APH1A, APP NOTCH1 94/4885RBPJ 1902/4885XIAP 559/4885

“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.

Send feedback