SCHEMBL3900653

SCHEMBL3900653

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDXK O00764 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AOX1 Q06278 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
PNPO Q9NVS9 1/20 0.32
PTPRB P23467 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ACP3 P15309 1/20 0.31

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
SCHEMBL29638818 0.80 PDXK (0.62) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3761208 0.80 PDXK (0.62) PDXKKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11700751 0.78 ALDH1A1 (0.60) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4577011 0.75 KDM4E (0.67) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4016022 0.75 KDM4E (0.61) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1645737 0.75 PDXK (0.56) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2909398 0.75 PDXK (0.61) PDXKKDM4EALDH1A1HPGDHSD17B10
Pyridoxine SCHEMBL43879 0.75 KDM4E (0.83) PDXKKDM4EALDH1A1HPGDHSD17B10
Pyridoxine SCHEMBL29004449 0.75 KDM4E (0.83) PDXKKDM4EALDH1A1HPGDHSD17B10
Pyridoxine SCHEMBL1545934 0.73 KDM4E (0.80) PDXKKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012167243-A1 COMPOSITIONS AND METHODS OF TREATMENT FOR OBESITY B & P COMPANY, INC. (US) 2012-12-06 WO claimed
WO-2012167243-A1 COMPOSITIONS AND METHODS OF TREATMENT FOR OBESITY B & P COMPANY, INC. (US) 2012-12-06 WO disclosed
EP-1703911-A4 COMBINATION THERAPIES EMPLOYING A COMPOSITION COMPRISING A HMG COA REDUCTASE INHIBITOR AND A VITAMIN B6 RELATED COMPOUND MEDICURE INT INC (BB) 2009-03-18 EP disclosed
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-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-7442689-B2 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2008-10-28 US disclosed
US-20080214504-A1 Vitamin B6 Related Compounds and Methods for Recovery From Trauma MEDICURE INTERNATIONAL INC. (BB) 2008-09-04 US disclosed
US-20080139511-A1 Combination Therapies Employing Ace Inhibitors and Uses Thereof for the Treatment of Diabetic Disorders MEDICURE INTERNATIONAL INC. (BB) 2008-06-12 US disclosed
US-7375112-B2 Compounds and methods for regulating triglyceride levels MEDICURE INTERNATIONAL INC. (BB) 2008-05-20 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
WO-2001072309-A3 TREATMENT OF CEREBROVASCULAR DISEASE MEDICURE INT INC (BB) 2002-06-13 WO disclosed
US-20020010158-A1 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (CA) 2002-01-24 US 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
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-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-20080311099-A1 Pyridoxal-5-Phosphate and Related Compounds in Combination With Therapeutic Cardiovascular Compounds for Treating Angina ALOX5, PNPO, KCNMB1 PDXK 129/4885KDM4E 1392/4885ALDH1A1 1179/4885
US-20020010158-A1 Cardioprotective phosphonates and malonates PDXK, PHOSPHO1, PNPO PDXK 1/4885KDM4E 519/4885ALDH1A1 2080/4885
US-20080214504-A1 Vitamin B6 Related Compounds and Methods for Recovery From Trauma PLPBP, PNPO, SERPINB6 PDXK 4/4885KDM4E 1298/4885ALDH1A1 1021/4885
US-20010056081-A1 Treatment of cerebrovascular disease PNPO, PLPBP, VNN1 PDXK 4/4885KDM4E 1422/4885ALDH1A1 1352/4885
US-20080139511-A1 Combination Therapies Employing Ace Inhibitors and Uses Thereof for the Treatment of Diabetic Disorders ACE, ACE2, REN PDXK 10/4885KDM4E 2342/4885ALDH1A1 421/4885

“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.