SCHEMBL4576064

SCHEMBL4576064

CCOP(=O)(OCC)C(F)(F)C(O)c1cnc(C)c(O)c1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 2/20 0.35
▸ PDXK O00764 1/20 0.35
▸ ESR1 P03372 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ P2RX1 P51575 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ PNPO Q9NVS9 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AOX1 Q06278 1/20 0.32
▸ TRIM24 O15164 1/20 0.32
▸ TRIM33 Q9UPN9 1/20 0.32
▸ SGPL1 O95470 1/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL5420563 0.84 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4577413 0.76 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL14553288 0.71 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4577063 0.71 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL14446471 0.71 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4576376 0.70 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13988518 0.70 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13988548 0.70 KMT2A (0.44) ALDH1A1KMT2A
SCHEMBL11457157 0.68 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4577607 0.68 HPGD (0.51) 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 12 patents. 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-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-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-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-20070032456-A1 Modulation of cell death MEDICURE INC. (CA) 2007-02-08 — — US disclosed
US-20040171588-A1 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (CA) 2004-09-02 — — US disclosed
US-20030114424-A1 Treatment of cerebrovascular disease MEDICURE INTERNATIONAL INC. (BB) 2003-06-19 — — US 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 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-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-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.

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