SCHEMBL3085645

SCHEMBL3085645

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.50
MTOR P42345 1/20 0.50
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
GBA1 P04062 1/20 0.45
SLC6A3 Q01959 1/20 0.42
HTR2A P28223 2/20 0.42
KCNH2 Q12809 2/20 0.42
HTR2C P28335 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL7046732 0.85 PDPK1 (0.53) PDPK1MTORGBA1SIGMAR1
SCHEMBL3073767 0.85 GBA1 (0.45) OPRM1OPRD1GBA1SLC6A3HTR2A
SCHEMBL3082847 0.83 OPRM1 (0.46) OPRM1OPRD1GBA1HTR2AKCNH2
SCHEMBL3075531 0.81 OPRM1 (0.44) PDPK1MTOROPRM1OPRD1GBA1
SCHEMBL6407587 0.79 OPRM1 (0.42) OPRM1OPRD1GBA1HTR2AKCNH2
SCHEMBL7047341 0.75 INPP5A (0.43)
SCHEMBL7050749 0.74 PDPK1 (0.45) PDPK1MTOR
SCHEMBL7049028 0.72 INPP5A (0.41)
SCHEMBL11227003 0.71 GBA1 (0.61) OPRM1OPRD1GBA1SLC6A3SIGMAR1
SCHEMBL7114787 0.71 PDPK1 (0.42) PDPK1MTOROPRM1OPRD1ACHE

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 17 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-20050261756-A1 Coated stent BIONERIS AB (SE) 2005-11-24 US 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
EP-1545643-A1 COATED STENT Bioneris AB, (SE) 2005-06-29 EP 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
WO-2004022123-A1 COATED STENT BIONERIS AB (SE) 2004-03-18 WO 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-1023301-B1 A HETEROCYCLIC CHEMICAL COMPOUND BIONERIS AB (SE) 2003-04-09 EP 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
US-6046334-A Heterocyclic chemical compound PERSTORP AB (SE) 2000-04-04 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 PDPK1 3190/4885MTOR 1812/4885OPRM1 53/4885
US-20020065253-A1 Use of growth factor modulating compounds HDGF, PGF, FGF2 PDPK1 1548/4885MTOR 505/4885OPRM1 990/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB PDPK1 3837/4885MTOR 1905/4885OPRM1 498/4885
US-20040235799-A1 Use of a compound with a negatively charged domain of radicals for the treatment of restenosis PCNA, OPRK1, OGFR PDPK1 2350/4885MTOR 1669/4885OPRM1 32/4885
US-20090175924-A1 COATED STENT PHOSPHO1, SOST, PLCB3 PDPK1 463/4885MTOR 18/4885OPRM1 68/4885
US-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS TNF, TLR2, TPMT PDPK1 1842/4885MTOR 819/4885OPRM1 1212/4885

“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.