SCHEMBL13716655

SCHEMBL13716655

CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCNC(=O)c1ccc(C(=N)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.46
ITGA2B P08514 8/20 0.46
PTPN1 P18031 5/20 0.46
CCKBR P32239 1/20 0.45
PTPN2 P17706 2/20 0.43
PTPRA P18433 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
CTSL P07711 1/20 0.43
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
MMP1 P03956 1/20 0.42
MMP8 P22894 1/20 0.42
PSMB8 P28062 2/20 0.42
PSMB5 P28074 2/20 0.42

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
SCHEMBL13744704 0.89 ITGB3 (0.48) ITGB3ITGA2BPTPN1MMP2MMP7
SCHEMBL7299599 0.89 ITGB3 (0.51) ITGB3ITGA2BPTPN1PTPN2PTPRA
SCHEMBL9742835 0.89 ITGB3 (0.51) ITGB3ITGA2BPTPN1PTPN2PTPRA
SCHEMBL13716830 0.89 L3MBTL1 (0.56) ITGB3ITGA2BPTPN1MMP2MMP7
Trifluoroacetic Acid SCHEMBL3040708 0.87 ITGB3 (0.50) ITGB3ITGA2BPTPN1PTPN2PTPRA
SCHEMBL13716640 0.87 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7303040 0.83 ITGB3 (0.55) ITGB3ITGA2BPTPN1
SCHEMBL13716827 0.82 CCKBR (0.45) ITGB3ITGA2BPTPN1CCKBRMMP2
SCHEMBL7296817 0.82 MAPT (0.44) ITGB3ITGA2BCCKBRMMP9MMP1
SCHEMBL7298590 0.82 PRSS1 (0.47) ITGB3ITGA2BPTPN1PTPN2PTPRA

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-7576071-B2 Antithrombotic compound SANOFI-AVENTIS (FR) 2009-08-18 US disclosed
US-20070293442-A1 ANTITHROMBOTIC COMPOUND SANOFI-AVENTIS (FR) 2007-12-20 US disclosed
US-20070293442-A1 ANTITHROMBOTIC COMPOUND SANOFI-AVENTIS (FR) 2007-12-20 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-20070293442-A1 ANTITHROMBOTIC COMPOUND F13B, SERPINC1, SELP ITGB3 66/4885ITGA2B 13/4885PTPN1 2299/4885

“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.