SCHEMBL1027441

SCHEMBL1027441

Cc1csc(-c2ccc(N(CC(=O)O)CC(=O)O)c(C)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.39
TGFBR1 P36897 4/20 0.38
HAO1 Q9UJM8 1/20 0.38
PPARA Q07869 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
PPARD Q03181 1/20 0.36
ADORA2A P29274 1/20 0.36
PPARG P37231 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL1028654 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL1026923 0.78 GSK3B (0.39)
SCHEMBL1027182 0.77 HDAC4 (0.40)
SCHEMBL1027018 0.77 KDM4E (0.46) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL1026174 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAACYP2C9
SCHEMBL1024977 0.76 CNR1 (0.46) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL1027207 0.75 MAPT (0.42) ALDH1A1KDM4ELMNACYP2C9
SCHEMBL1026836 0.75 TACR3 (0.40) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL1026196 0.75 HSD17B1 (0.49) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL1024294 0.74 RAB9A (0.57) ALDH1A1HPGDGAASMN1; SMN2CYP3A4

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 11 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-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 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
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 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 180/4885KDM4E 3723/4885HPGD 356/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885KDM4E 2360/4885HPGD 222/4885

“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.