SCHEMBL3075822

SCHEMBL3075822

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
PAM P19021 2/20 0.41
LY96 Q9Y6Y9 6/20 0.41
TLR4 O00206 5/20 0.41
AKR1B1 P15121 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
TSHR P16473 3/20 0.38
GPR84 Q9NQS5 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
TLR2 O60603 1/20 0.38
MEN1 O00255 1/20 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
SCHEMBL3083128 0.95 TLR4 (0.37) NAAAPAMLY96TLR4KMT2A
SCHEMBL3083187 0.89 ALDH1A1 (0.35) LY96TLR4KMT2ATSHRALDH1A1
SCHEMBL8444060 0.89 GPR55 (0.37) NAAAPAMLY96TLR4GPR55
SCHEMBL3080744 0.85 LY96 (0.47) NAAALY96TLR4MAPTGPR55
SCHEMBL3063341 0.83 LY96 (0.53) NAAALY96TLR4
SCHEMBL3075893 0.83 LY96 (0.53) NAAALY96TLR4
SCHEMBL3085410 0.83 MEN1 (0.34) KMT2ATSHRTDP1MEN1
SCHEMBL3082731 0.81 LY96 (0.55) NAAALY96TLR4GPR55
SCHEMBL3075469 0.81 LY96 (0.55) NAAALY96TLR4GPR55
SCHEMBL3080244 0.80 LY96 (0.43) NAAALY96TLR4GPR55

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
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 (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 NAAA 2602/4885PAM 299/4885LY96 3278/4885
US-20020065253-A1 Use of growth factor modulating compounds HDGF, PGF, FGF2 NAAA 4741/4885PAM 989/4885LY96 1810/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB NAAA 3151/4885PAM 829/4885LY96 865/4885
US-20040235799-A1 Use of a compound with a negatively charged domain of radicals for the treatment of restenosis PCNA, OPRK1, OGFR NAAA 4255/4885PAM 235/4885LY96 3381/4885
US-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS TNF, TLR2, TPMT NAAA 4163/4885PAM 742/4885LY96 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.