SCHEMBL6765800

SCHEMBL6765800

CC(C)(CCCCOc1cccc(-c2ccc(-c3ccc4c(c3)OCO4)cc2)n1)CNC(=O)C(N)CC(=O)NCC(O)C(O)C(O)C(O)CO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.44
CTSD P07339 2/20 0.34
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CTSA P10619 1/20 0.32
ADORA1 P30542 3/20 0.32
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6760886 0.93 LTB4R (0.42) LTB4RCTSD
SCHEMBL6765798 0.91 LTB4R (0.57) LTB4RADORA1
SCHEMBL6760505 0.89 LTB4R (0.45) LTB4RCTSDCTSAADORA1
SCHEMBL6759621 0.87 LTB4R (0.53) LTB4RCTSAADORA1POLBADORA3
SCHEMBL6760884 0.85 LTB4R (0.52) LTB4RADORA1
SCHEMBL6757597 0.83 LTB4R (0.38) LTB4RPOLBNPC1RAB9AALDH1A1
SCHEMBL6755913 0.82 LTB4R (0.48) LTB4RADORA1KDM4EALDH1A1GAA
SCHEMBL6760504 0.81 LTB4R (0.56) LTB4RADORA1
SCHEMBL6759615 0.78 LTB4R (0.67) LTB4RADORA1
SCHEMBL6924187 0.77 LTB4R (0.52) LTB4RCTSAADORA1

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 6 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-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-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 (3 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 1/4885CTSD 916/4885THRB 542/4885
US-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H LTB4R 1/4885CTSD 916/4885THRB 542/4885
US-20040247523-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 LTB4R 1/4885CTSD 1950/4885THRB 665/4885

“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.