SCHEMBL7251051

SCHEMBL7251051

C=CC[C@H](C(=O)O)[C@H](CC(C)C)C(=O)N[C@H]1CC=CC2CN(Cc3ccccc3)CCN2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.43
▸ MMP2 P08253 11/20 0.39
▸ MMP3 P08254 10/20 0.39
▸ MMP7 P09237 10/20 0.39
▸ MMP1 P03956 9/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ ADAM17 P78536 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ MMP14 P50281 2/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ NOTCH1 P46531 2/20 0.37
▸ RBPJ Q06330 2/20 0.37
▸ MMP10 P09238 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL7248308 1.00 APP (0.43) APPMMP2MMP3MMP7MMP1
SCHEMBL7248694 0.94 NOTCH1 (0.43) APPMMP2MMP3MMP7MMP1
SCHEMBL7246639 0.78 FPR2 (0.43) —
SCHEMBL7247071 0.71 APP (0.45) APPMMP2MMP3MMP7MMP1
SCHEMBL4490715 0.69 APP (0.68) APPMMP2MMP3MMP7MMP1
SCHEMBL8241343 0.68 NOTCH1 (0.53) MMP2MMP3MMP7MMP1MMP8
SCHEMBL7253237 0.67 TACR1 (0.42) —
SCHEMBL4499276 0.67 NOTCH1 (0.50) APPMMP2MMP3MMP7MMP1
SCHEMBL7247698 0.67 APP (0.48) APPMMP2MMP3MMP7MMP1
SCHEMBL4485658 0.66 APP (0.58) APPMMP2MMP3MMP7MMP1

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-6525044-B2 Treatment of neurological disorders related to beta -amyloid production such as Alzheimer's disease and Down's Syndrome. BRISTOL-MYERS SQUIBB COMPANY 2003-02-25 — — US disclosed
US-20020055501-A1 Succinoylamino carbocycles and heterocycles as inhibitors of a-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-09 — — 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-20020055501-A1 Succinoylamino carbocycles and heterocycles as inhibitors of a-beta protein production APP, APH1A, APH1B APP 1/4885MMP2 3800/4885MMP3 4564/4885

“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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