SCHEMBL3080244

SCHEMBL3080244

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 6/20 0.43
TLR4 O00206 6/20 0.43
NAAA Q02083 2/20 0.38
PRKCA P17252 5/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL3080744 0.95 LY96 (0.47) LY96TLR4NAAAPRKCAGPR55
SCHEMBL3075859 0.90 ALDH1A1 (0.38) LY96TLR4NAAA
SCHEMBL3075504 0.85 LY96 (0.48) LY96TLR4NAAA
SCHEMBL3076907 0.85 LY96 (0.48) LY96TLR4NAAA
SCHEMBL3083128 0.84 TLR4 (0.37) LY96TLR4NAAAGPR55
SCHEMBL3087052 0.83 PPARD (0.34) LY96TLR4
SCHEMBL8446159 0.83 ITPR3 (0.35) LY96TLR4
SCHEMBL3075822 0.80 NAAA (0.42) LY96TLR4NAAAGPR55
SCHEMBL3075893 0.80 LY96 (0.53) LY96TLR4NAAA
SCHEMBL3063341 0.80 LY96 (0.53) LY96TLR4NAAA

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 10 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-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 (5 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 LY96 3278/4885TLR4 2430/4885NAAA 2602/4885
US-20020065253-A1 Use of growth factor modulating compounds HDGF, PGF, FGF2 LY96 1810/4885TLR4 287/4885NAAA 4741/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB LY96 865/4885TLR4 741/4885NAAA 3151/4885
US-20090175924-A1 COATED STENT PHOSPHO1, SOST, PLCB3 LY96 2565/4885TLR4 199/4885NAAA 3750/4885
US-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS TNF, TLR2, TPMT LY96 1159/4885TLR4 11/4885NAAA 4163/4885

“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.