SCHEMBL4576456

SCHEMBL4576456

Cc1ncc(C(O)P(=O)(O)O)c(C=O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ ACP1 P24666 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ P2RX1 P51575 1/20 0.52
▸ P2RX2 Q9UBL9 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ AOX1 Q06278 1/20 0.50
▸ TRIM24 O15164 1/20 0.49
▸ TRIM33 Q9UPN9 1/20 0.49
▸ PDXK O00764 1/20 0.40
▸ ERN1 O75460 1/20 0.39
▸ PNPO Q9NVS9 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL8835556 0.83 KDM4E (0.59) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL17224491 0.80 KDM4E (0.56) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL5667259 0.80 PNPO (0.39) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL2467030 0.79 KDM4E (0.54) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL6045299 0.79 KDM4E (0.54) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL2692050 0.78 P2RX2 (0.56) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL14687825 0.78 KDM4E (0.53) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL3800949 0.77 P2RX2 (0.54) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL9274513 0.75 ESR1 (0.68) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL4577063 0.75 KDM4E (0.51) ESR1PTGS1ACP1PDE4AP2RX1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311099-A1 Pyridoxal-5-Phosphate and Related Compounds in Combination With Therapeutic Cardiovascular Compounds for Treating Angina MEDICURE INTERNATIONAL INC. 2008-12-18 — — US disclosed
US-7442689-B2 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2008-10-28 — — US disclosed
EP-1531157-B1 Cardioprotective phosphonates MEDICURE INT INC (BB) 2008-03-19 — — EP disclosed
US-20070167411-A1 Compositions for treating angina MEDICURE INTERNATIONAL INC. (BB) 2007-07-19 — — US disclosed
EP-1796685-A1 PYRIDOXAL-5´-PHOSPHATE AND RELATED COMPOUNDS IN COMBINATION WITH THERAPEUTIC CADIOVASCULAR COMPOUNDS FOR TREATING ANGINA. Medicure International Inc. (CA) 2007-06-20 — — EP disclosed
US-7198648-B2 Coupling component for oxidative hair dyes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-04-03 — — US disclosed
US-20070032456-A1 Modulation of cell death MEDICURE INC. (CA) 2007-02-08 — — US disclosed
US-7105673-B2 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2006-09-12 — — US disclosed
WO-2006058411-A1 PYRIDOXAL-5´-PHOSPHATE AND RELATED COMPOUNDS IN COMBINATION WITH THERAPEUTIC CADIOVASCULAR COMPOUNDS FOR TREATING ANGINA. MEDICURE INTERNATIONAL INC. (CA) 2006-06-08 — — WO disclosed
EP-1610783-A2 MODULATION OF CELL DEATH Medicure Inc. (CA) 2006-01-04 — — EP disclosed
EP-1292266-A2 NOVEL COUPLING COMPONENT FOR OXIDATIVE HAIR DYES Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 — — EP disclosed
EP-1292263-A2 VITAMIN B6 DERIVATIVES AS PROTECTIVE COMPONENTS IN THE OXIDATIVE TREATMENT OF HAIR Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 — — EP disclosed
EP-1278526-A2 TREATMENT OF CEREBROVASCULAR DISEASE Medicure International Inc. (BB) 2003-01-29 — — EP disclosed
EP-1268498-A1 CARDIOPROTECTIVE PHOSPHONATES AND MALONATES Medicure International Inc. (BB) 2003-01-02 — — EP disclosed
US-20020010158-A1 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (CA) 2002-01-24 — — US disclosed
WO-2001097756-A2 NOVEL COUPLING COMPONENT FOR OXIDATIVE HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 — — WO disclosed
US-20010056081-A1 Treatment of cerebrovascular disease MEDICURE INTERNATIONAL INC. (CA) 2001-12-27 — — US disclosed
WO-2001097755-A2 VITAMIN B6 DERIVATIVES AS PROTECTIVE COMPONENTS IN THE OXIDATIVE TREATMENT OF HAIR HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 — — WO disclosed
WO-2001072309-A2 TREATMENT OF CEREBROVASCULAR DISEASE MEDICURE INTERNATIONAL INC. (US) 2001-10-04 — — WO disclosed
WO-2001064692-A1 CARDIOPROTECTIVE PHOSPHONATES AND MALONATES MEDICURE INTERNATIONAL INC. (BB) 2001-09-07 — — WO 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-20070167411-A1 Compositions for treating angina PNPO, PYGM, PLPBP ESR1 3953/4885PTGS1 330/4885ACP1 649/4885
US-20080311099-A1 Pyridoxal-5-Phosphate and Related Compounds in Combination With Therapeutic Cardiovascular Compounds for Treating Angina ALOX5, PNPO, KCNMB1 ESR1 4362/4885PTGS1 372/4885ACP1 1423/4885
US-20020010158-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO ESR1 3532/4885PTGS1 873/4885ACP1 371/4885
US-20010056081-A1 Treatment of cerebrovascular disease PNPO, PLPBP, VNN1 ESR1 4867/4885PTGS1 498/4885ACP1 710/4885
US-20070032456-A1 Modulation of cell death CASP6, CASP3, CASP5 ESR1 4874/4885PTGS1 834/4885ACP1 264/4885

“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.

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