SCHEMBL6810906

SCHEMBL6810906

NCCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.64
CTSB P07858 1/20 0.63
MMP2 P08253 1/20 0.60
MMP9 P14780 1/20 0.60
ERAP2 Q6P179 4/20 0.55
LNPEP Q9UIQ6 4/20 0.55
C3AR1 Q16581 2/20 0.55
ERAP1 Q9NZ08 2/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA9 Q16790 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CASR P41180 1/20 0.49
FOLH1 Q04609 1/20 0.49
F2 P00734 1/20 0.48

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
SCHEMBL607885 0.93 ITGB3 (0.60) HPGDSCTSBMMP2MMP9ERAP2
SCHEMBL607886 0.93 ITGB3 (0.60) HPGDSCTSBMMP2MMP9ERAP2
SCHEMBL7390292 0.90 ITGB3 (0.55) HPGDSCTSBMMP2MMP9ERAP2
SCHEMBL22312697 0.90 ITGB3 (0.55) HPGDSCTSBMMP2MMP9ERAP2
SCHEMBL6810961 0.90 ITGB3 (0.55) HPGDSCTSBMMP2MMP9ERAP2
SCHEMBL1980150 0.88 ITGB3 (0.57) HPGDSCTSBMMP2MMP9ERAP2
SCHEMBL8847374 0.88 ITGB3 (0.57) HPGDSCTSBMMP2MMP9ERAP2
SCHEMBL1980652 0.88 ITGB3 (0.57) HPGDSCTSBMMP2MMP9ERAP2
SCHEMBL10286227 0.87 HPGDS (0.54) HPGDSCTSBMMP2MMP9ERAP2
SCHEMBL12064327 0.87 HPGDS (0.54) HPGDSCTSBMMP2MMP9ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0692982-B1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT PHARM CO (US) 2000-07-05 EP claimed
EP-0995761-A2 Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders Dupont Pharmaceuticals Company (US) 2000-04-26 EP claimed
EP-0691987-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP claimed
WO-1994022910-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
US-6818659-B2 TARGETS AND BINDS BIOLOGICAL RECEPTORS; MEDICAL DIAGNOSIS; MAGNETIC RESONANCE, X-RAY, ULTRASOUND, AND CONTRAST IMAGING BRISTOL-MYERS SQUIBB PHARMA, INC. 2004-11-16 US disclosed
US-20040087603-A1 (2S) -2-AMINO-4-(2-AMINO-(3,4,5,6-TETRAHYDROPYRIMIDIN-4-YL) BUTANOYL AND ITS USE IN CYCLIC AND ACYCLIC PEPTIDES LANTHEUS MEDICAL IMAGING, INC. 2004-05-06 US disclosed
EP-0692982-B1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT PHARM CO (US) 2000-07-05 EP disclosed
EP-0995761-A2 Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders Dupont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
EP-0691987-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP disclosed
WO-1994022910-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 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-20040087603-A1 (2S) -2-AMINO-4-(2-AMINO-(3,4,5,6-TETRAHYDROPYRIMIDIN-4-YL) BUTANOYL AND ITS USE IN CYCLIC AND ACYCLIC PEPTIDES VIP, ARGLU1, NGLY1 HPGDS 749/4885CTSB 2951/4885MMP2 2559/4885

“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.