SCHEMBL13499658

SCHEMBL13499658

C/C=C/CC(CC1CCC1)C(=O)NC(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
MMP1 P03956 6/20 0.33
MMP13 P45452 2/20 0.33
CTSK P43235 5/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
FCER2 P06734 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
SCHEMBL13499680 0.97 LTA4H (0.46) LTA4HGRIK1GRIK2MMP1CTSK
SCHEMBL13499693 0.95 LTA4H (0.41) LTA4HGRIK1GRIK2CTSKALDH1A1
SCHEMBL13500156 0.86 MMP1 (0.35) LTA4HGRIK1GRIK2MMP1MMP13
SCHEMBL13461532 0.84 ALDH1A1 (0.34) LTA4HGRIK1GRIK2MMP1MMP13
SCHEMBL13500148 0.83 LTA4H (0.38) LTA4HGRIK1GRIK2MMP1MMP13
SCHEMBL13499674 0.83 LTA4H (0.44) LTA4HMMP1MMP13CTSKALDH1A1
SCHEMBL13435011 0.82 CPB2 (0.37) LTA4HGRIK1GRIK2MMP1MMP13
SCHEMBL13463097 0.81 ALDH1A1 (0.37) LTA4HGRIK1GRIK2CTSKALDH1A1
SCHEMBL13499660 0.81 GRIK1 (0.33) GRIK1GRIK2CTSK
SCHEMBL13499646 0.80 LTA4H (0.47) LTA4HMMP1CTSKALDH1A1KMT2A

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-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

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-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A LTA4H 2299/4885GRIK1 2871/4885GRIK2 2965/4885

“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.