SCHEMBL13988552

SCHEMBL13988552

CCOP(=O)(OCC)C(F)(F)C(=O)c1cnc(C)c2c1COC(C)(C)O2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAOB P27338 4/20 0.39
▸ MAPT P10636 2/20 0.35
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33

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
SCHEMBL13988548 0.80 KMT2A (0.44) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL4913458 0.74 KMT2A (0.56) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL13988540 0.72 KMT2A (0.46) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL14015244 0.71 KMT2A (0.46) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL13988542 0.71 KMT2A (0.43) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL13988536 0.70 KMT2A (0.52) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL4577413 0.70 KDM4E (0.40) KMT2AALDH1A1
SCHEMBL13988533 0.69 KMT2A (0.50) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL14015237 0.68 ALDH1A1 (0.58) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL13988494 0.68 KMT2A (0.51) KMT2AALDH1A1MAPK1MAOBMAPT

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 8 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KMT2A 3440/4885ALDH1A1 1367/4885MAPK1 4279/4885
US-20080311099-A1 Pyridoxal-5-Phosphate and Related Compounds in Combination With Therapeutic Cardiovascular Compounds for Treating Angina ALOX5, PNPO, KCNMB1 KMT2A 2206/4885ALDH1A1 1179/4885MAPK1 2426/4885
US-20070032456-A1 Modulation of cell death CASP6, CASP3, CASP5 KMT2A 4133/4885ALDH1A1 3492/4885MAPK1 2411/4885

“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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