SCHEMBL8427642

SCHEMBL8427642

CCC[C@H](C(N)=O)C(CC(C)(C)C)C(=O)NCC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.34
CA2 P00918 10/20 0.34
CA7 P43166 4/20 0.34
CA14 Q9ULX7 4/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
NOTCH1 P46531 1/20 0.32
NOTCH3 Q9UM47 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL14375598 1.00 CA1 (0.34) CA1CA2CA7CA14CA12
SCHEMBL14348117 1.00 CA1 (0.34) CA1CA2CA7CA14CA12
SCHEMBL8426455 0.91 CA2 (0.42) CA1CA2CA7CA14
SCHEMBL14347683 0.91 CA2 (0.42) CA1CA2CA7CA14
SCHEMBL14375604 0.91 CA2 (0.42) CA1CA2CA7CA14
SCHEMBL8244142 0.84 CA1 (0.33) CA1CA2CA7CA14CA12
SCHEMBL13913759 0.84 CA1 (0.33) CA1CA2CA7CA14CA12
SCHEMBL8426467 0.84 ACACB (0.32)
SCHEMBL14348551 0.84 ALDH1A1 (0.31)
SCHEMBL14348572 0.84 ACACB (0.32)

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-7507815-B2 Succinoylamino lactams as inhibitors of a-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-24 US disclosed
US-20080293692-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-27 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-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 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-20080293692-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BACE1, APH1A, APP CA1 1397/4885CA2 2765/4885CA7 3285/4885
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, GABRE CA1 811/4885CA2 1815/4885CA7 3418/4885
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production BACE1, APP, GABRE CA1 811/4885CA2 1815/4885CA7 3418/4885

“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.