SCHEMBL1197129

SCHEMBL1197129

CCOC(=O)CN(CC(=O)OCC)c1ccc(C(N)=S)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34

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
SCHEMBL1028604 0.89 ALDH1A1 (0.43) CA12CA1CA2CA9GAA
SCHEMBL1028582 0.89 MMP2 (0.42) CA12CA1CA2CA9TDP1
SCHEMBL1026492 0.85 CREBBP (0.40) CA12CA1CA2CA9TDP1
SCHEMBL1025807 0.85 HCAR3 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL1026513 0.83 TDP1 (0.36) GAATDP1CYP1A2MAPK1LMNA
SCHEMBL1024093 0.79 CA12 (0.38) CA12CA1CA2CA9CYP1A2
SCHEMBL1028592 0.79 SMN1; SMN2 (0.41) CA12CA1CA2CA9GAA
SCHEMBL1025793 0.78 ALDH1A1 (0.45) CA12CA1CA2CA9TDP1
SCHEMBL1027353 0.77 PPARG (0.36) CA12CA1CA2CA9GAA
SCHEMBL1028508 0.77 NPC1 (0.46) GAATDP1LMNASMN1; SMN2ALDH1A1

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 3 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
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

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 CA12 799/4885CA1 211/4885CA2 384/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 CA12 3988/4885CA1 1715/4885CA2 2503/4885

“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.