SCHEMBL5297537

SCHEMBL5297537

Cc1ncc(OP(=O)(O)C(F)(F)C=O)c(CO)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ESR1 P03372 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ ACP1 P24666 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ LMNA P02545 5/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ AOX1 Q06278 1/20 0.39
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ PDXK O00764 1/20 0.33
▸ PNPO Q9NVS9 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ AGTR1 P30556 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
SCHEMBL5420558 0.86 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10ESR1
SCHEMBL4576389 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10ESR1
SCHEMBL4577077 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10ESR1
SCHEMBL4576784 0.73 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10ESR1
SCHEMBL12676992 0.70 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PDE4A
SCHEMBL5427118 0.68 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10ESR1
SCHEMBL5420563 0.68 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10ESR1
Pyridoxine SCHEMBL43879 0.68 KDM4E (0.83) KDM4EALDH1A1HPGDHSD17B10ESR1
Pyridoxine SCHEMBL29004449 0.68 KDM4E (0.83) KDM4EALDH1A1HPGDHSD17B10ESR1
SCHEMBL4577063 0.67 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10ESR1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-1531157-A1 Cardioprotective phosphonates Medicure International Inc. (BB) 2005-05-18 — — EP disclosed
US-6867215-B2 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2005-03-15 — — US disclosed
US-6861439-B2 Treatment of cerebrovascular disease MEDICURE INTERNATIONAL, INC. (BB) 2005-03-01 — — US disclosed
US-6780997-B2 SUCH AS DIBENZYL(A,3-O-ISOPROPYLIDIENE-3-HYDROXY-4-HYDROXYMETHYL-2-METHYL-5-PYRIDYL) HYDROXYMETHYLPHOSPHONATE WHICH FUNCTIONS LIKE PYRIDOXAL-5'-PHOSPHATE IN VIVO; DRUG SCREENING; ANTIDIABETIC AGENTS MEDICURE INTERNATIONAL INC. (BB) 2004-08-24 — — US disclosed
US-20040121988-A1 Treatment of cerebrovascular disease MEDICURE INTERNATIONAL INC. (BB) 2004-06-24 — — US disclosed
US-6667315-B2 Pyridoxine phosphonate analogues such as, for example, ((2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridyl)alkylphosphonates, and (2-methyl-3-hydroxy-4-hydroxymethyl-5-pyridyl)azaalkylphosphonates) MEDICURE INTERNATIONAL INC. (BA) 2003-12-23 — — US disclosed
US-20030181422-A1 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2003-09-25 — — US disclosed
US-6605612-B2 Derivatives of 5-pyridylalkylphosphonates and 5-pyridylalkylmalonates useful drugs for treatment of cardiovascular related diseases and diabetes mellitus related diseases MEDICURE INTERNATIONAL INC. (BB) 2003-08-12 — — US disclosed
US-20030120074-A1 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2003-06-26 — — US disclosed
US-20030114677-A1 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2003-06-19 — — US disclosed
US-20030114678-A1 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2003-06-19 — — US 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-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 (8 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-20030114677-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO KDM4E 519/4885ALDH1A1 2080/4885HPGD 403/4885
US-20030181422-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO KDM4E 519/4885ALDH1A1 2080/4885HPGD 403/4885
US-20070167411-A1 Compositions for treating angina PNPO, PYGM, PLPBP KDM4E 2123/4885ALDH1A1 1367/4885HPGD 153/4885
US-20020010158-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO KDM4E 519/4885ALDH1A1 2080/4885HPGD 403/4885
US-20040121988-A1 Treatment of cerebrovascular disease PNPO, PLPBP, PDXK KDM4E 1621/4885ALDH1A1 1627/4885HPGD 242/4885
US-20030120074-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO KDM4E 519/4885ALDH1A1 2080/4885HPGD 403/4885
US-20070032456-A1 Modulation of cell death CASP6, CASP3, CASP5 KDM4E 1592/4885ALDH1A1 3492/4885HPGD 308/4885
US-20030114678-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO KDM4E 519/4885ALDH1A1 2080/4885HPGD 403/4885

“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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