SCHEMBL523981

SCHEMBL523981

O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)O[C@H]2C[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.47
P2RY2 P41231 13/20 0.47
P2RY4 P51582 9/20 0.47
P2RY6 Q15077 7/20 0.45
POLA1 P09884 1/20 0.44
DUT P33316 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
Biotin SCHEMBL381578 0.88 DUT (0.52) F2P2RY2P2RY4P2RY6POLA1
Uridine Triphosphate SCHEMBL166686 0.83 P2RY2 (0.61) P2RY2P2RY4P2RY6
SCHEMBL2808581 0.81 F2 (0.51) F2DUT
SCHEMBL15794560 0.78 HLCS (0.51) F2
SCHEMBL14204816 0.77 P2RY2 (0.54) P2RY2P2RY4P2RY6
Biotin SCHEMBL4304275 0.77 TDP1 (0.44) F2P2RY2P2RY4P2RY6DUT
SCHEMBL14204819 0.77 P2RY6 (0.54) P2RY2P2RY4P2RY6
Biotin SCHEMBL523980 0.76 TDP1 (0.51) F2DUT
SCHEMBL21787064 0.74 F2 (0.48) F2POLA1
SCHEMBL21786921 0.74 F2 (0.48) F2POLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008940-A1 Mucin Derived Polypeptides MuciMed, Inc. 2017-01-12 US disclosed
US-9119869-B2 Mucin derived polypeptides MUCIMED, INC, 2015-09-01 US disclosed
WO-2014036377-A1 METHODS OF PROMOTING CELL VIABILITY METSELEX (US) 2014-03-06 WO disclosed
US-20130345073-A1 USE OF ALPHA-2-MACROGLOBULIN FOR DETERMINING OSTEONECROSIS DISEASE STATUS AND FOR SCREENING THERAPEUTIC AGENTS FOR PREVENTING OR TREATING OSTEONECROSIS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2013-12-26 US disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20120028911-A1 Mucin Derived Polypeptides MuciMed, Inc. (US) 2012-02-02 US disclosed
US-20110190218-A1 BAG-1 PEPTIDE THAT INHIBITS PROSTATE CANCER KARLSRUHE INSTITUTE OF TECHNOLOGY (DE) 2011-08-04 US disclosed
US-20110190399-A1 CURCUMIN NANOPARTICLES AND METHODS OF PRODUCING THE SAME Kar, Santosh Kumar (IN) 2011-08-04 US disclosed
EP-2349237-A2 CURCUMIN NANOPARTICLES AND METHODS OF PRODUCING THE SAME Kar, Santosh Kumar (IN) 2011-08-03 EP disclosed
WO-2010129954-A1 TREATMENT OF ISCHEMIA-REPERFUSION INJURY APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-11-11 WO disclosed
EP-2151452-A1 Bag-1 peptide that inhibits prostate cancer Karlsruher Institut für Technologie (DE) 2010-02-10 EP disclosed
WO-2010012452-A1 BAG-1 PEPTIDE THAT INHIBITS PROSTATE CANCER KARLSRUHE INSTITUTE OF TECHNOLOGY (DE) 2010-02-04 WO disclosed
WO-2010013224-A2 CURCUMIN NANOPARTICLES AND METHODS OF PRODUCING THE SAME KAR SANTOSH KUMAR (IN) 2010-02-04 WO disclosed
EP-0983069-B1 USE OF TAUROLIDINE FOR the manufacture of a medicament for the TREATMENT OF LEUKEMIAS OKLAHOMA MED RES FOUND (US) 2004-08-04 EP disclosed
US-6303596-B1 ADMINISTERING EFFECTIVE AMOUNT OF TAUROLIDINE TO RENDER LEUKEMIA-CAUSING CELLS APOPTOTIC OKLAHOMA MEDICAL RESEARCH FOUNDATION 2001-10-16 US disclosed
EP-0983069-A1 USE OF TAUROLIDINE FOR TREATMENT OF LEUKEMIAS Oklahoma Medical Research Foundation (US) 2000-03-08 EP disclosed
WO-1998052572-A1 USE OF TAUROLIDINE FOR TREATMENT OF LEUKEMIAS OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1998-11-26 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-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 F2 662/4885P2RY2 1585/4885P2RY4 2124/4885

“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.