SCHEMBL3085500

SCHEMBL3085500

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 4/20 0.47
PAM P19021 2/20 0.46
SMPD1 P17405 1/20 0.44
PLCG2 P16885 1/20 0.41
NAAA Q02083 2/20 0.40
TLR4 O00206 1/20 0.39
LY96 Q9Y6Y9 1/20 0.39
AKT1 P31749 1/20 0.39
LPAR6 P43657 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR4 Q99677 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
ENPP2 Q13822 1/20 0.38
P2RY10 O00398 3/20 0.38
GPR174 Q9BXC1 3/20 0.38
GPR34 Q9UPC5 2/20 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
SCHEMBL3077143 0.96 GPR55 (0.43) GPR55PAMSMPD1PLCG2NAAA
SCHEMBL3075795 0.90 GPR55 (0.36) GPR55PAMSMPD1PLCG2TLR4
SCHEMBL3082822 0.84 MVD (0.36) GPR55SMPD1
SCHEMBL3063341 0.81 LY96 (0.53) SMPD1NAAATLR4LY96LPAR6
SCHEMBL3075893 0.81 LY96 (0.53) SMPD1NAAATLR4LY96LPAR6
SCHEMBL3082302 0.80 GBA1 (0.44) GPR55SMPD1PLCG2AKT1LPAR1
SCHEMBL3073143 0.80 GBA1 (0.44) GPR55SMPD1PLCG2AKT1LPAR1
SCHEMBL3075822 0.80 NAAA (0.42) GPR55PAMNAAATLR4LY96
SCHEMBL3082731 0.79 LY96 (0.55) GPR55SMPD1NAAATLR4LY96
SCHEMBL3075469 0.79 LY96 (0.55) GPR55SMPD1NAAATLR4LY96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 US claimed
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT SIRÈN MATTI (FI) 2016-03-17 US disclosed
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 US disclosed
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-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
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
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
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

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

For each of this compound's patents that has machine-readable text (6 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-20100261682-A1 Method and Means for the Treatment of Cachexia PYGM, GYS1, CPT1B GPR55 873/4885PAM 299/4885SMPD1 3174/4885
US-20020065253-A1 Use of growth factor modulating compounds HDGF, PGF, FGF2 GPR55 2528/4885PAM 989/4885SMPD1 1070/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB GPR55 1619/4885PAM 829/4885SMPD1 2246/4885
US-20040235799-A1 Use of a compound with a negatively charged domain of radicals for the treatment of restenosis PCNA, OPRK1, OGFR GPR55 1796/4885PAM 235/4885SMPD1 2414/4885
US-20090175924-A1 COATED STENT PHOSPHO1, SOST, PLCB3 GPR55 789/4885PAM 742/4885SMPD1 3221/4885
US-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS TNF, TLR2, TPMT GPR55 3262/4885PAM 742/4885SMPD1 1166/4885

“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.