SCHEMBL2584054

SCHEMBL2584054

COC(=O)C(Cc1ccccc1O)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.55
KLK5 Q9Y337 1/20 0.53
NLRP3 Q96P20 1/20 0.52
CTSS P25774 9/20 0.51
CTSK P43235 8/20 0.51
CTSL P07711 4/20 0.47
CTSB P07858 1/20 0.47
SCN9A Q15858 2/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
ACE P12821 1/20 0.46
CACNA1B Q00975 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL29478098 1.00 TACR1 (0.55) TACR1KLK5NLRP3CTSSCTSK
SCHEMBL7842742 1.00 TACR1 (0.55) TACR1KLK5NLRP3CTSSCTSK
SCHEMBL24309187 1.00 TACR1 (0.55) TACR1KLK5NLRP3CTSSCTSK
SCHEMBL6156362 0.88 ACE (0.58) TACR1CTSSCTSKCTSLCTSB
SCHEMBL13541332 0.88 ACE (0.58) TACR1CTSSCTSKCTSLCTSB
SCHEMBL4117148 0.88 ACE (0.58) TACR1CTSSCTSKCTSLCTSB
SCHEMBL30765058 0.88 CTSS (0.50) TACR1KLK5NLRP3CTSSCTSK
SCHEMBL27125023 0.88 CTSS (0.50) TACR1KLK5NLRP3CTSSCTSK
SCHEMBL25270309 0.86 KLK5 (0.52) TACR1KLK5CTSSCTSKCTSL
SCHEMBL19953645 0.86 CTSS (0.68) TACR1KLK5CTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709334-B Novel amino acid derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-04-13 CN disclosed
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 WO disclosed
US-20040247523-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-12-09 US disclosed
US-6770259-B2 ADMINISTEING RADIOLABELED LEUKOTRIENE (LTB4) BINDING AGENT AND A RADIOLABELED PERFUSION IMAGING AGENT; CONCURRENTLY DETECTING THE RADIOLABELED LTB4 BINDING AGENT BOUND AT THE LTB4 RECEPTOR AND THE RADIOLABELED PERFUSION IMAGING AGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003099810-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-12-04 WO disclosed
EP-1347784-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION Bristol-Myers Squibb Pharma Company (US) 2003-10-01 EP disclosed
US-20030124053-A1 Radiopharmaceuticals for imaging infection and inflammation BRISTOL-MYERS SQUIBB COMPANY 2003-07-03 US disclosed
EP-0999856-B1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-14 EP disclosed
EP-1293214-A2 LTB4 antagonists and radiopharmaceuticals for imaging infection and inflammation Bristol-Myers Squibb Pharma Company (US) 2003-03-19 EP disclosed
US-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation BARRETT JOHN A (US) 2003-01-09 US disclosed
US-20030003049-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LANTHEUS MEDICAL IMAGING, INC. 2003-01-02 US disclosed
US-6416733-B1 RADIOPHARMACEUTICALS BIND IN VIVO TO THE LEUKOTRIENE B4 (LTB4) RECEPTOR ON THE SURFACE OF LEUKOCYTES WHICH ACCUMULATE AT THE SITE OF INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-09 US disclosed
WO-2002036173-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-10 WO disclosed
EP-0999856-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION Du Pont Pharmaceuticals Company (US) 2000-05-17 EP disclosed
CN-1239895-A Radiopharmaceuticals for imaging sites of infection and inflammation DU PONT MERCK PHARMA (US) 1999-12-29 CN disclosed
WO-1998015295-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-16 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 (5 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-20030124053-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H TACR1 145/4885KLK5 842/4885NLRP3 743/4885
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 TACR1 251/4885KLK5 3690/4885NLRP3 88/4885
US-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H TACR1 145/4885KLK5 842/4885NLRP3 743/4885
US-20040247523-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 TACR1 138/4885KLK5 1351/4885NLRP3 1615/4885
US-20030003049-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 TACR1 138/4885KLK5 1351/4885NLRP3 1615/4885

“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.