SCHEMBL311596

SCHEMBL311596

CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)NC1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 15/20 0.86
▸ MMP1 P03956 3/20 0.86
▸ PSEN1 P49768 2/20 0.86
▸ PSEN2 P49810 2/20 0.86
▸ APH1B Q8WW43 2/20 0.86
▸ NCSTN Q92542 2/20 0.86
▸ APH1A Q96BI3 2/20 0.86
▸ PSENEN Q9NZ42 2/20 0.86
▸ MMP2 P08253 1/20 0.86
▸ MMP7 P09237 1/20 0.86
▸ MMP10 P09238 1/20 0.86
▸ MMP9 P14780 1/20 0.86
▸ MMP13 P45452 1/20 0.86
▸ MMP14 P50281 1/20 0.86
▸ ADAM17 P78536 1/20 0.86
▸ MMP3 P08254 2/20 0.53
▸ NPY1R P25929 1/20 0.49
▸ SRC P12931 1/20 0.46

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
SCHEMBL6094611 1.00 APP (0.86) APPMMP1PSEN1PSEN2APH1B
SCHEMBL6859558 1.00 APP (0.86) APPMMP1PSEN1PSEN2APH1B
SCHEMBL311595 1.00 APP (0.86) APPMMP1PSEN1PSEN2APH1B
SCHEMBL13934568 1.00 APP (0.86) APPMMP1PSEN1PSEN2APH1B
SCHEMBL4482305 0.97 APP (0.86) APPMMP1PSEN1PSEN2APH1B
SCHEMBL13934576 0.97 APP (0.86) APPMMP1PSEN1PSEN2APH1B
SCHEMBL6166785 0.97 APP (0.86) APPMMP1PSEN1PSEN2APH1B
SCHEMBL4487283 0.95 APP (0.79) APPMMP1PSEN1PSEN2APH1B
SCHEMBL14348193 0.94 APP (0.88) APPMMP1PSEN1PSEN2APH1B
SCHEMBL13920936 0.94 APP (0.88) APPMMP1PSEN1PSEN2APH1B

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
EP-2408450-B1 ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-03-13 — — EP disclosed
EP-2471769-A1 Process for preparing a benzonitrile derivative Bristol-Myers Squibb Company (US) 2012-07-04 — — EP disclosed
US-8093276-B2 Alpha-(N-sulfonamido)acetamide compound as an inhibitor of beta amyloid peptide production BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 — — US disclosed
EP-2295417-A1 Novel intermediates useful for preparing alpha-(n-sulfonamido)acetamide compound Bristol-Myers Squibb Company (US) 2011-03-16 — — EP disclosed
EP-2205575-B1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2011-03-16 — — EP disclosed
US-20090227642-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 — — 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-20090227642-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION APP, BACE1, APBA1 APP 1/4885MMP1 2096/4885PSEN1 4/4885

“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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