SCHEMBL13499667

SCHEMBL13499667

CC(C)NC(=O)C(CCC1CCCC1)CC1CC1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
METAP2 P50579 1/20 0.38
MMP1 P03956 2/20 0.34
MMP13 P45452 1/20 0.34
CTSS P25774 3/20 0.33
MMP2 P08253 2/20 0.33
CTSK P43235 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CPB2 Q96IY4 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
MMP3 P08254 1/20 0.33
BMP1 P13497 1/20 0.33
METAP1 P53582 1/20 0.33
BCHE P06276 1/20 0.32
CTSL P07711 1/20 0.32
KLK7 P49862 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13499663 0.96 LTA4H (0.34) LTA4HMETAP2MMP1MMP13CTSS
SCHEMBL13500293 0.87 MMP1 (0.37) LTA4HMETAP2MMP1MMP13CTSS
SCHEMBL13499691 0.86 LTA4H (0.49) LTA4HMETAP2MMP1MMP13CTSS
SCHEMBL13499662 0.85 LTA4H (0.48) LTA4HMETAP2MMP1MMP13CTSS
SCHEMBL13499681 0.85 LTA4H (0.48) LTA4HMETAP2MMP1MMP13CTSS
SCHEMBL13499665 0.85 LTA4H (0.48) LTA4HMETAP2MMP1MMP13CTSS
SCHEMBL13461552 0.84 METAP2 (0.35) METAP2MMP1MMP13CTSSCTSK
SCHEMBL13435028 0.84 CPB2 (0.38) LTA4HMETAP2MMP1MMP13CTSS
SCHEMBL13499664 0.82 LTA4H (0.45) LTA4HMETAP2MMP1MMP13MMP2
SCHEMBL13499645 0.82 HDAC8 (0.39) LTA4HKMT2A

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-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-01-14 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-20100009966-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A LTA4H 2299/4885METAP2 1006/4885MMP1 2106/4885
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A LTA4H 2299/4885METAP2 1006/4885MMP1 2106/4885

“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.