SCHEMBL1025641

SCHEMBL1025641

CCOC(=O)CN(CC(=O)OCC)c1cc(-c2nc(C(=O)O)cs2)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
CLK1 P49759 1/20 0.44
GAA P10253 1/20 0.43
PLA2G10 O15496 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
DPP4 P27487 2/20 0.39
ACHE P22303 1/20 0.39
HPGDS O60760 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL1025395 0.90 RAB9A (0.45) ALDH1A1RAB9ANPC1CLK1GAA
SCHEMBL1026174 0.79 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1CLK1GAA
SCHEMBL1026196 0.78 HSD17B1 (0.49) ALDH1A1RAB9ANPC1CLK1GAA
SCHEMBL1196564 0.77 KDM4E (0.41) ALDH1A1RAB9ANPC1PKM
SCHEMBL1024294 0.77 RAB9A (0.57) ALDH1A1RAB9ANPC1GAAHSD17B1
SCHEMBL1026326 0.76 CDC7 (0.40) ALDH1A1RAB9ANPC1GAAHSD17B1
SCHEMBL1028654 0.76 ALDH1A1 (0.41) ALDH1A1GAAHSD17B1HSD17B2
SCHEMBL1027018 0.75 KDM4E (0.46) ALDH1A1RAB9ANPC1GAAPOLB
SCHEMBL1027895 0.73 ALDH1A1 (0.46) ALDH1A1POLB
SCHEMBL1026068 0.73 TLR8 (0.36) ALDH1A1RAB9AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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 (2 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 ALDH1A1 180/4885RAB9A 1221/4885NPC1 450/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885RAB9A 3994/4885NPC1 1230/4885

“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.