SCHEMBL3004552

SCHEMBL3004552

COC(=O)N1CCCC(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
CTSK P43235 12/20 0.51
CTSL P07711 9/20 0.51
CTSS P25774 7/20 0.51
CTSB P07858 5/20 0.51
ACE P12821 1/20 0.46
PREP P48147 2/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
HRH1 P35367 1/20 0.45

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
SCHEMBL23295570 0.87 CTSK (0.54) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL23295571 0.87 CTSK (0.54) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL25889247 0.86 YAP1 (0.52) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL30405428 0.84 BCHE (0.48) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL3005103 0.83 CTSK (0.44) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL3005100 0.83 CTSK (0.44) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL25282429 0.83 CTSK (0.65) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL25282430 0.83 CTSK (0.65) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL22122405 0.83 CTSK (0.62) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL15649121 0.83 CTSK (0.62) ITGB3ITGA2BCTSKCTSLCTSS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 ITGB3 3113/4885ITGA2B 3709/4885CTSK 280/4885

“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.