SCHEMBL1027353

SCHEMBL1027353

CCOC(=O)CN(CC(=O)OCC)c1ccc(I)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35
AR P10275 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NLRP3 Q96P20 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL1025754 0.88 ALDH1A1 (0.38) PPARGTDP1CA12CA1CA2
SCHEMBL1026816 0.81 TDP1 (0.39) TDP1ALDH1A1SMN1; SMN2
SCHEMBL1025807 0.81 HCAR3 (0.43) TDP1CA12CA1CA2CA9
SCHEMBL1026492 0.81 CREBBP (0.40) PPARGTDP1CA12CA1CA2
SCHEMBL1028582 0.79 MMP2 (0.42) PPARGTDP1CA12CA1CA2
SCHEMBL1024869 0.78 PDCD1 (0.42) TDP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1197129 0.77 CA12 (0.36) PPARGTDP1CA12CA1CA2
SCHEMBL9830935 0.75 SMN1; SMN2 (0.43) PPARGKMT2ACYP4F2CYP4A11NLRP3
SCHEMBL1028592 0.75 SMN1; SMN2 (0.41) CA12CA1CA2CA9KMT2A
SCHEMBL1024093 0.75 CA12 (0.38) CA12CA1CA2CA9GABRA1

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 PPARG 548/4885TDP1 4245/4885CA12 799/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 PPARG 4231/4885TDP1 744/4885CA12 3988/4885

“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.