SCHEMBL1387797

SCHEMBL1387797

NCCCC[C@H](C(=O)O)N(C(=O)CN)C(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
ADRA2C P18825 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
PLG P00747 1/20 0.38
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
SRD5A2 P31213 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 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
SCHEMBL9243238 0.95 F2 (0.46) F2ADRA2CMMP2MMP9EPOR
SCHEMBL9716623 0.87 F2 (0.50) F2ADRA2CMMP2MMP9EPOR
SCHEMBL7321837 0.87 F2 (0.50) F2ADRA2CMMP2MMP9EPOR
SCHEMBL1387992 0.87 F2 (0.50) F2ADRA2CMMP2MMP9EPOR
SCHEMBL9716684 0.82 ADRA2C (0.50) F2ADRA2CALDH1A1HPGDMMP2
SCHEMBL9716679 0.82 ADRA2C (0.50) F2ADRA2CALDH1A1HPGDMMP2
SCHEMBL15484293 0.82 ADRA2C (0.50) F2ADRA2CALDH1A1HPGDMMP2
SCHEMBL1387731 0.82 F2 (0.49) F2ADRA2CMMP2MMP9EPOR
SCHEMBL9716619 0.79 F2 (0.40) F2ADRA2CEPORNPC1RAB9A
SCHEMBL9716611 0.79 F2 (0.40) F2ADRA2CEPORNPC1RAB9A

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 16 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-0692982-A4 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT MERCK PHARMA (US) 1998-03-11 EP claimed
JP-H08509710-A 1996-10-15 JP claimed
EP-0692982-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-24 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
WO-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS 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-0692982-A4 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT MERCK PHARMA (US) 1998-03-11 EP disclosed
EP-0692982-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-24 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-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO 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 F2 2660/4885ADRA2C 1606/4885ALDH1A1 4435/4885

“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.