SCHEMBL6759707

SCHEMBL6759707

COC(=O)c1cccc(NC(=O)NCC(C)(C)CCCCOc2cccc(-c3ccc(-c4ccc5c(c4)OCO5)cc3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.49
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
PAX8 Q06710 1/20 0.40
KLF5 Q13887 1/20 0.40
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL6760792 0.94 LTB4R (0.52) LTB4RRAB9ANPC1MAPTMAPK1
SCHEMBL6977207 0.92 LTB4R (0.55) LTB4RRAB9ANPC1KDM4EALDH1A1
SCHEMBL6759706 0.91 LTB4R (0.62) LTB4RRAB9ANPC1KDM4EALDH1A1
SCHEMBL6977205 0.88 LTB4R (0.58) LTB4RRAB9ANPC1KDM4EALDH1A1
SCHEMBL6760787 0.85 LTB4R (0.65) LTB4RRAB9ANPC1PAX8KLF5
SCHEMBL6757597 0.80 LTB4R (0.38) LTB4RRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6759621 0.79 LTB4R (0.53) LTB4RKDM4EALDH1A1MAPTMAPK1
SCHEMBL6757555 0.77 LTB4R (0.78) LTB4R
SCHEMBL6755913 0.76 LTB4R (0.48) LTB4RKDM4EALDH1A1MAPTLMNA
SCHEMBL6924187 0.75 LTB4R (0.52) LTB4R

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
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-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 LTB4R 1/4885RAB9A 1680/4885NPC1 1022/4885
US-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H LTB4R 1/4885RAB9A 1680/4885NPC1 1022/4885
US-20040247523-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 LTB4R 1/4885RAB9A 2950/4885NPC1 2669/4885
US-20030003049-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 LTB4R 1/4885RAB9A 2950/4885NPC1 2669/4885

“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.