SCHEMBL13499700

SCHEMBL13499700

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
METAP2 P50579 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
MMP2 P08253 9/20 0.38
MMP3 P08254 6/20 0.38
BMP1 P13497 2/20 0.38
CTSL P07711 1/20 0.38
MMP1 P03956 5/20 0.35
MMP13 P45452 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL13499695 0.95 CTSS (0.35) LTA4HMETAP2CTSSCTSKMMP2
SCHEMBL13500295 0.87 MMP1 (0.38) LTA4HMETAP2CTSSCTSKMMP2
SCHEMBL13461499 0.84 METAP2 (0.36) METAP2CTSSCTSKMMP2BMP1
SCHEMBL13435033 0.84 CPB2 (0.37) METAP2CTSSCTSKMMP2MMP3
SCHEMBL13499691 0.81 LTA4H (0.49) LTA4HMETAP2CTSSCTSKCTSL
SCHEMBL13499665 0.80 LTA4H (0.48) LTA4HMETAP2CTSSCTSKCTSL
SCHEMBL13499687 0.80 METAP2 (0.41) LTA4HMETAP2CTSSCTSKMMP2
SCHEMBL13499681 0.80 LTA4H (0.48) LTA4HMETAP2CTSSCTSKMMP2
SCHEMBL13499662 0.80 LTA4H (0.48) LTA4HMETAP2CTSSCTSKMMP2
SCHEMBL13500154 0.80 MMP1 (0.32) CTSSCTSKMMP2MMP3CTSL

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 1006/4885CTSS 121/4885
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A LTA4H 2299/4885METAP2 1006/4885CTSS 121/4885

“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.