SCHEMBL13499646

SCHEMBL13499646

C=CCC(CC1CCCC1)C(=O)NC(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
CTSK P43235 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
REN P00797 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
TSHR P16473 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
MMP1 P03956 3/20 0.33
FCER2 P06734 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL13499674 0.97 LTA4H (0.44) LTA4HCTSKALDH1A1KMT2AREN
SCHEMBL13499689 0.95 LTA4H (0.42) LTA4HCTSKALDH1A1KMT2AREN
SCHEMBL13500185 0.86 LTA4H (0.39) LTA4HCTSKALDH1A1KMT2AREN
SCHEMBL13499654 0.85 LTA4H (0.48) LTA4HCTSKALDH1A1KMT2AREN
SCHEMBL3638531 0.84 LTA4H (0.41) LTA4HCTSKALDH1A1KMT2AREN
SCHEMBL3774856 0.84 LTA4H (0.41) LTA4HCTSKALDH1A1KMT2AREN
SCHEMBL13499680 0.83 LTA4H (0.46) LTA4HCTSKALDH1A1KMT2ACTSL
SCHEMBL13463206 0.83 EPHX1 (0.38) LTA4HCTSKALDH1A1KMT2AREN
SCHEMBL13500184 0.83 MMP1 (0.36) LTA4HCTSKALDH1A1KMT2AMMP1
SCHEMBL13435000 0.82 CPB2 (0.40) LTA4HCTSKALDH1A1KMT2AREN

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 LTA4H 2299/4885CTSK 933/4885ALDH1A1 3896/4885
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A LTA4H 2331/4885CTSK 1129/4885ALDH1A1 3909/4885

“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.