SCHEMBL4285698

SCHEMBL4285698

CCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 7/20 0.52
TLR4 O00206 1/20 0.49
LY96 Q9Y6Y9 1/20 0.49
SMPD1 P17405 1/20 0.49
ITPR2 Q14571 3/20 0.47
ITPR1 Q14643 3/20 0.47
GPR55 Q9Y2T6 1/20 0.47
AKT1 P31749 2/20 0.46
INPP5A Q14642 1/20 0.46
INPPL1 O15357 1/20 0.46
NR5A2 O00482 1/20 0.44
NR5A1 Q13285 1/20 0.44
NAAA Q02083 2/20 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
SCHEMBL3653390 0.95 ITPR3 (0.53) ITPR3TLR4LY96SMPD1ITPR2
SCHEMBL9004344 0.92 SMPD1 (0.53) ITPR3TLR4LY96SMPD1ITPR2
SCHEMBL9000966 0.91 SMPD1 (0.55) ITPR3TLR4LY96SMPD1ITPR2
SCHEMBL3063341 0.91 LY96 (0.53) TLR4LY96SMPD1NAAA
SCHEMBL3075893 0.91 LY96 (0.53) TLR4LY96SMPD1NAAA
SCHEMBL3082731 0.89 LY96 (0.55) TLR4LY96SMPD1GPR55NAAA
SCHEMBL3075469 0.89 LY96 (0.55) TLR4LY96SMPD1GPR55NAAA
SCHEMBL8498938 0.86 ITPR3 (0.55) ITPR3SMPD1ITPR2ITPR1AKT1
SCHEMBL3075504 0.85 LY96 (0.48) ITPR3TLR4LY96SMPD1ITPR2
SCHEMBL3076907 0.85 LY96 (0.48) ITPR3TLR4LY96SMPD1ITPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090175924-A1 COATED STENT BIONERIS AB (SE) 2009-07-09 US disclosed
EP-1390045-B1 THE USE OF A COMPOUND WITH A NEGATIVELY CHARGED DOMAIN OF PHOSPHOROUS-CONTAINING RADICALS FOR THE TREATMENT OF RESTENOSIS BIONERIS AB (SE) 2008-12-03 EP disclosed
US-20050261756-A1 Coated stent BIONERIS AB (SE) 2005-11-24 US disclosed
US-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS PERSTORP AB (SE) 2005-10-13 US disclosed
US-6949517-B1 Method of treating inflammatory, tissue repair and infectious conditions SIREN MATTI 2005-09-27 US disclosed
EP-1545643-A1 COATED STENT Bioneris AB, (SE) 2005-06-29 EP disclosed
US-20040235799-A1 Use of a compound with a negatively charged domain of radicals for the treatment of restenosis BIONERIS AB (SE) 2004-11-25 US disclosed
WO-2004022123-A1 COATED STENT BIONERIS AB (SE) 2004-03-18 WO disclosed
EP-1390045-A1 THE USE OF A COMPOUND WITH A NEGATIVELY CHARGED DOMAIN OF RADICALS FOR THE TREATMENT OF RESTENOSIS Bioneris AB, c/o Ekonomikonsult Islinge KB (SE) 2004-02-25 EP disclosed
US-6632797-B2 Administering to a mammal a cyclic compound (acyclic, carbocyclic or heterocyclic) substituted by at least three vicinal phosphorus containing radicals for treating angiogenesis in tumor conditions SIREN MATTI (FI) 2003-10-14 US disclosed
WO-2002096436-A1 THE USE OF A COMPOUND WITH A NEGATIVELY CHARGED DOMAIN OF RADICALS FOR THE TREATMENT OF RESTENOSIS BIONERIS AB (SE) 2002-12-05 WO disclosed
EP-1216705-A2 The use of growth factor modulation compounds substituted with three vicinal phosphorus containing radical in the manufacture of a medicament for tissue repair PERSTORP AB (SE) 2002-06-26 EP disclosed
US-20020065253-A1 Use of growth factor modulating compounds SIREN MATTI (FI) 2002-05-30 US disclosed
EP-0910383-A1 THE USE OF GROWTH FACTOR MODULATING COMPOUNDS PERSTORP AB (SE) 1999-04-28 EP disclosed
WO-1997049408-A1 THE USE OF GROWTH FACTOR MODULATING COMPOUNDS PERSTORP AB (SE) 1997-12-31 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 (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-20020065253-A1 Use of growth factor modulating compounds HDGF, PGF, FGF2 ITPR3 1805/4885TLR4 287/4885LY96 1810/4885
US-20040235799-A1 Use of a compound with a negatively charged domain of radicals for the treatment of restenosis PCNA, OPRK1, OGFR ITPR3 3145/4885TLR4 358/4885LY96 3381/4885
US-20090175924-A1 COATED STENT PHOSPHO1, SOST, PLCB3 ITPR3 294/4885TLR4 199/4885LY96 2565/4885
US-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS TNF, TLR2, TPMT ITPR3 2069/4885TLR4 11/4885LY96 1159/4885

“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.