SCHEMBL4576539

SCHEMBL4576539

CC(=O)OO[PH](=O)OOC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.30
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4576548 0.79
SCHEMBL25442 0.71
SCHEMBL30477387 0.68
Hydrogen Peroxide SCHEMBL8626398 0.68 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10LMNATDP1
Methane SCHEMBL27609142 0.68
Acetone SCHEMBL226043 0.68 LMNA (0.55) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL29931207 0.68
SCHEMBL2991355 0.68
SCHEMBL29877272 0.68
SCHEMBL1706581 0.68 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10LMNATDP1

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 30 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
US-20070167411-A1 Compositions for treating angina MEDICURE INTERNATIONAL INC. (BB) 2007-07-19 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
EP-1610783-A2 MODULATION OF CELL DEATH Medicure Inc. (CA) 2006-01-04 EP disclosed
EP-1608379-A1 COMPOSITIONS FOR TREATING ANGINA Medicure Inc. (CA) 2005-12-28 EP disclosed
EP-1531157-A1 Cardioprotective phosphonates Medicure International Inc. (BB) 2005-05-18 EP disclosed
EP-1268498-B1 CARDIOPROTECTIVE PHOSPHONATES MEDICURE INT INC (BB) 2005-04-13 EP disclosed
US-6867215-B2 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2005-03-15 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-20030114424-A1 Treatment of cerebrovascular disease 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-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
US-20010056081-A1 Treatment of cerebrovascular disease MEDICURE INTERNATIONAL INC. (CA) 2001-12-27 US 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 (9 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 ALDH1A1 2080/4885TSHR 3443/4885HSD17B10 1185/4885
US-20070167411-A1 Compositions for treating angina PNPO, PYGM, PLPBP ALDH1A1 1367/4885TSHR 3843/4885HSD17B10 1898/4885
US-20080311099-A1 Pyridoxal-5-Phosphate and Related Compounds in Combination With Therapeutic Cardiovascular Compounds for Treating Angina ALOX5, PNPO, KCNMB1 ALDH1A1 1179/4885TSHR 3439/4885HSD17B10 1128/4885
US-20020010158-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO ALDH1A1 2080/4885TSHR 3443/4885HSD17B10 1185/4885
US-20030120074-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO ALDH1A1 2080/4885TSHR 3443/4885HSD17B10 1185/4885
US-20010056081-A1 Treatment of cerebrovascular disease PNPO, PLPBP, VNN1 ALDH1A1 1352/4885TSHR 3254/4885HSD17B10 2057/4885
US-20070032456-A1 Modulation of cell death CASP6, CASP3, CASP5 ALDH1A1 3492/4885TSHR 3908/4885HSD17B10 3585/4885
US-20030114678-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO ALDH1A1 2080/4885TSHR 3443/4885HSD17B10 1185/4885
US-20030114424-A1 Treatment of cerebrovascular disease PNPO, PLPBP, VNN1 ALDH1A1 1352/4885TSHR 3254/4885HSD17B10 2057/4885

“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.