SCHEMBL1027204

SCHEMBL1027204

COc1cc2c(cc1OC)CC(N(C)C(=O)CN(CC(=O)O)c1cc(C#N)ccc1C)C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HCRTR2 O43614 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
AHCY P23526 9/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL1025888 0.90 KEAP1 (0.37) ALDH1A1AHCYMAPTKDM4ELMNA
SCHEMBL1029674 0.88 AHCY (0.40) AHCYFFAR4
SCHEMBL1029742 0.88 FFAR4 (0.34) ALDH1A1AHCYPTGDR2FFAR4KDM4E
SCHEMBL1025406 0.82 AHCY (0.41) AHCYFFAR4
SCHEMBL1026193 0.78 FFAR1 (0.46) ALDH1A1PTGDR2MAPTFFAR4KDM4E
SCHEMBL11975507 0.77 AHCY (0.54) AHCY
Hydrochloric Acid SCHEMBL1197460 0.76 AHCY (0.53) AHCY
SCHEMBL11975037 0.76 AHCY (0.55) AHCY
SCHEMBL1029548 0.75 KEAP1 (0.37) PPARDPPARAAHCYMAPTFFAR4
SCHEMBL1028562 0.75 AHCY (0.39) AHCYPTGDR2FFAR4

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 180/4885HCRTR2 2620/4885PPARD 1522/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885HCRTR2 3478/4885PPARD 3805/4885

“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.