SCHEMBL6757481

SCHEMBL6757481

CC(CCCN)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.50
ITGA2B P08514 5/20 0.50
CTSS P25774 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL15966609 0.96 ITGB3 (0.49) ITGB3ITGA2BCTSSMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6759267 0.95 MEN1 (0.50) ITGB3ITGA2BCTSSMEN1KMT2A
SCHEMBL28086104 0.88 ITGB3 (0.51) ITGB3ITGA2BCTSSMEN1KMT2A
Hydrochloric Acid SCHEMBL5672181 0.85 CTSS (0.52) ITGB3ITGA2BCTSSMEN1KMT2A
SCHEMBL2963801 0.85 CTSS (0.52) ITGB3ITGA2BCTSSMEN1KMT2A
Hydrochloric Acid SCHEMBL5672178 0.85 CTSS (0.52) ITGB3ITGA2BCTSSMEN1KMT2A
SCHEMBL3584842 0.85 CTSS (0.52) ITGB3ITGA2BCTSSMEN1KMT2A
SCHEMBL15966665 0.85 ITGB3 (0.47) ITGB3ITGA2BCTSSMEN1KMT2A
SCHEMBL2777679 0.84 HTT (0.52) ITGB3ITGA2BCTSSMEN1KMT2A
SCHEMBL1398932 0.84 HTT (0.52) ITGB3ITGA2BCTSSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ITGB3 259/4885ITGA2B 319/4885CTSS 500/4885
US-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H ITGB3 259/4885ITGA2B 319/4885CTSS 500/4885
US-20040247523-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 ITGB3 260/4885ITGA2B 195/4885CTSS 1199/4885
US-20030003049-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 ITGB3 260/4885ITGA2B 195/4885CTSS 1199/4885

“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.