SCHEMBL2994945

SCHEMBL2994945

CCn1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.47
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ITGA4 P13612 2/20 0.44
ITGB7 P26010 2/20 0.44
PPARA Q07869 7/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 2/20 0.42
CTSK P43235 4/20 0.41
CTSS P25774 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
PTPN1 P18031 2/20 0.41
MAPK1 P28482 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL2994942 1.00 ACE (0.47) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL27998523 0.89 CTSK (0.44) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL478317 0.89 KLK5 (0.43) ACEITGA4ITGB7CTSKCTSS
SCHEMBL478315 0.89 KLK5 (0.43) ACEITGA4ITGB7CTSKCTSS
SCHEMBL1196676 0.85 ACE (0.49) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL1196678 0.85 ACE (0.49) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL24189724 0.83 ACE (0.47) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL29015319 0.83 ACE (0.47) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL10264093 0.83 ACE (0.37) ACEITGA4ITGB7CTSKCTSS
SCHEMBL31304927 0.77 PPARA (0.39) PPARAPPARGCTSKCTSSPTPN1

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 7 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
CN-101784516-B Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2014-07-02 CN disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
CN-101784516-A Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2010-07-21 CN disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 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 ACE 112/4885ITGB3 3113/4885ITGA2B 3709/4885

“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.