SCHEMBL4576787

SCHEMBL4576787

Cc1ncc(COCO[PH](=O)OCOCc2cnc(C)c(O)c2CO)c(CO)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 4/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AOX1 Q06278 1/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
PDXK O00764 2/20 0.38
GAA P10253 2/20 0.36
ESR1 P03372 1/20 0.36
PTGS1 P23219 1/20 0.36
ACP1 P24666 1/20 0.36
PDE4A P27815 1/20 0.36

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
SCHEMBL4577025 0.82 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6534833 0.80 HPGD (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4576792 0.77 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3900651 0.76 KDM4E (0.83) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8155229 0.76 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL25665045 0.76 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL18461165 0.75 HPGD (0.69) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL25665934 0.74 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL405403 0.74 HPGD (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10076286 0.74 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10LMNA

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 25 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-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-6861439-B2 Treatment of cerebrovascular disease MEDICURE INTERNATIONAL, INC. (BB) 2005-03-01 US disclosed
US-20040171588-A1 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (CA) 2004-09-02 US disclosed
US-20030120074-A1 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2003-06-26 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
US-20030114677-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 (10 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-20070167411-A1 Compositions for treating angina PNPO, PYGM, PLPBP KDM4E 2123/4885ALDH1A1 1367/4885HPGD 153/4885
US-20080311099-A1 Pyridoxal-5-Phosphate and Related Compounds in Combination With Therapeutic Cardiovascular Compounds for Treating Angina ALOX5, PNPO, KCNMB1 KDM4E 1392/4885ALDH1A1 1179/4885HPGD 581/4885
US-20020010158-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO KDM4E 519/4885ALDH1A1 2080/4885HPGD 403/4885
US-20030120074-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO KDM4E 519/4885ALDH1A1 2080/4885HPGD 403/4885
US-20010056081-A1 Treatment of cerebrovascular disease PNPO, PLPBP, VNN1 KDM4E 1422/4885ALDH1A1 1352/4885HPGD 156/4885
US-20040171588-A1 Cardioprotective phosphonates and malonates PRDX5, FABP3, PRDX6 KDM4E 2221/4885ALDH1A1 1489/4885HPGD 420/4885
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
US-20030114424-A1 Treatment of cerebrovascular disease PNPO, PLPBP, VNN1 KDM4E 1422/4885ALDH1A1 1352/4885HPGD 156/4885

“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.