SCHEMBL13499652

SCHEMBL13499652

C/C=C/CC(C(=O)NC(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ECE1 P42892 4/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL13500159 0.82 GRIK1 (0.34) CTSKGRIK1GRIK2ECE1PPARG
SCHEMBL19033285 0.80 CTSK (0.38) CTSKGRIK1GRIK2TSHRMEN1
SCHEMBL24704919 0.80 CTSK (0.38) CTSKGRIK1GRIK2TSHRMEN1
SCHEMBL13461448 0.79 ECE1 (0.37) CTSKGRIK1GRIK2TSHRECE1
SCHEMBL13499675 0.78 MMP2 (0.44) TSHRMEN1FAAHMAPK1KMT2A
SCHEMBL13435014 0.78 CTSK (0.37) CTSKGRIK1GRIK2ECE1
SCHEMBL13499650 0.78 CTSK (0.41) CTSKGRIK1GRIK2TSHRMEN1
SCHEMBL9575610 0.75 GRIK1 (0.46) CTSKGRIK1GRIK2ECE1
SCHEMBL9858396 0.75 GRIK1 (0.46) CTSKGRIK1GRIK2ECE1
SCHEMBL14304330 0.75 GRIK1 (0.46) CTSKGRIK1GRIK2ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-25 US disclosed
US-7655647-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-02 US disclosed
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-07-02 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 (2 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-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A CTSK 933/4885GRIK1 2871/4885GRIK2 2965/4885
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A CTSK 1129/4885GRIK1 2839/4885GRIK2 2914/4885

“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.