SCHEMBL3073767

SCHEMBL3073767

O=P(O)(CO)OC1[C@H](OP(=O)(O)CO)CN(CCc2ccccc2)C[C@H]1OP(=O)(O)CO

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.45
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
HTR2A P28223 2/20 0.42
KCNH2 Q12809 2/20 0.42
HTR2C P28335 1/20 0.42
SIGMAR1 Q99720 3/20 0.40
GAA P10253 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ACHE P22303 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL6407587 0.93 OPRM1 (0.42) GBA1OPRM1OPRD1HTR2AKCNH2
SCHEMBL3082847 0.87 OPRM1 (0.46) GBA1OPRM1OPRD1HTR2AKCNH2
SCHEMBL3085645 0.85 PDPK1 (0.50) GBA1OPRM1OPRD1HTR2AKCNH2
SCHEMBL3075531 0.78 OPRM1 (0.44) GBA1OPRM1OPRD1HTR2AKCNH2
SCHEMBL7046732 0.71 PDPK1 (0.53) GBA1SIGMAR1
SCHEMBL9682520 0.69 GBA1 (0.62) GBA1OPRM1OPRD1SIGMAR1GAA
SCHEMBL11227003 0.68 GBA1 (0.61) GBA1OPRM1OPRD1SIGMAR1GAA
SCHEMBL7003079 0.68 SLC6A3 (0.61) GBA1HTR2AKCNH2HTR2CSIGMAR1
SCHEMBL27672080 0.67 S1PR5 (0.71) GBA1OPRM1OPRD1HTR2AKCNH2
SCHEMBL7168199 0.67 GBA1 (0.83) GBA1OPRM1OPRD1HTR2AHTR2C

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 9 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-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
EP-0910383-B1 THE USE OF GROWTH FACTOR MODULATING COMPOUNDS BIONERIS AB (SE) 2003-10-15 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
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 (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-20100261682-A1 Method and Means for the Treatment of Cachexia PYGM, GYS1, CPT1B GBA1 2176/4885OPRM1 53/4885OPRD1 103/4885
US-20020065253-A1 Use of growth factor modulating compounds HDGF, PGF, FGF2 GBA1 4012/4885OPRM1 990/4885OPRD1 1988/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB GBA1 91/4885OPRM1 498/4885OPRD1 722/4885
US-20040235799-A1 Use of a compound with a negatively charged domain of radicals for the treatment of restenosis PCNA, OPRK1, OGFR GBA1 2969/4885OPRM1 32/4885OPRD1 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.