SCHEMBL3075859

SCHEMBL3075859

CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCC)[C@H](OP(=O)(O)CO)[C@@H](OP(=O)(O)CO)[C@@H](OP(=O)(O)CO)[C@H]1OC(=O)CCC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LY96 Q9Y6Y9 6/20 0.37
TLR4 O00206 5/20 0.37
LMNA P02545 1/20 0.35
PPARD Q03181 1/20 0.32
NAAA Q02083 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
SCHEMBL8446159 0.92 ITPR3 (0.35) ALDH1A1LY96TLR4LMNA
SCHEMBL3080244 0.90 LY96 (0.43) LY96TLR4NAAA
SCHEMBL3080744 0.89 LY96 (0.47) LY96TLR4NAAA
SCHEMBL3087052 0.86 PPARD (0.34) LY96TLR4PPARD
SCHEMBL8845346 0.84 ITPR3 (0.43) ALDH1A1LY96TLR4
SCHEMBL8844497 0.84 ITPR3 (0.43) ALDH1A1LY96TLR4
SCHEMBL8498941 0.84 ITPR3 (0.43) ALDH1A1LY96TLR4
SCHEMBL5667749 0.84 ITPR3 (0.43) ALDH1A1LY96TLR4
SCHEMBL15134078 0.84 ITPR3 (0.43) ALDH1A1LY96TLR4
SCHEMBL6388024 0.84 ITPR3 (0.43) ALDH1A1LY96TLR4

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 ALDH1A1 4139/4885LY96 3278/4885TLR4 2430/4885
US-20020065253-A1 Use of growth factor modulating compounds HDGF, PGF, FGF2 ALDH1A1 1684/4885LY96 1810/4885TLR4 287/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB ALDH1A1 3774/4885LY96 865/4885TLR4 741/4885
US-20040235799-A1 Use of a compound with a negatively charged domain of radicals for the treatment of restenosis PCNA, OPRK1, OGFR ALDH1A1 3664/4885LY96 3381/4885TLR4 358/4885
US-20090175924-A1 COATED STENT PHOSPHO1, SOST, PLCB3 ALDH1A1 4824/4885LY96 2565/4885TLR4 199/4885
US-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS TNF, TLR2, TPMT ALDH1A1 1175/4885LY96 1159/4885TLR4 11/4885

“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.