SCHEMBL1027896

SCHEMBL1027896

CCOC(=O)CN(CC(=O)OCC)c1cc(C(=O)OC(C)(C)C)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
STAT3 P40763 1/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
RAB9A P51151 1/20 0.37
RHEB Q15382 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 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
SCHEMBL1025939 0.88 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRCA12CA1
SCHEMBL1024093 0.85 CA12 (0.38) ALDH1A1CYP1A2TSHRCA12CA1
SCHEMBL1025236 0.85 STAT3 (0.41) ALDH1A1STAT3CYP1A2TSHRCYP2C19
SCHEMBL1025988 0.79 MEN1 (0.45) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL1026653 0.75 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRSMN1; SMN2CA12
SCHEMBL2685700 0.74 P2RY12 (0.40) ALDH1A1CYP1A2CA12CA1CA2
SCHEMBL23777638 0.73 ALDH1A1 (0.42) ALDH1A1CYP1A2TSHRCYP2C19CA12
SCHEMBL30208172 0.73 MGLL (0.50) ALDH1A1STAT3CYP1A2TSHRCYP2C19
SCHEMBL23777810 0.73 MGLL (0.50) ALDH1A1STAT3CYP1A2TSHRCYP2C19
SCHEMBL1029069 0.73 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19SMN1; SMN2CA12

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 180/4885STAT3 493/4885CYP1A2 4214/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885STAT3 2391/4885CYP1A2 873/4885

“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.