SCHEMBL1024977

SCHEMBL1024977

Cc1ccc(-c2nc(C(C)(C)C)cs2)cc1N(CC(=O)O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
LMNA P02545 4/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
PPARG P37231 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 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
SCHEMBL1028654 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL1026250 0.85 CNR1 (0.40) CNR1CNR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1027018 0.82 KDM4E (0.46) CNR1CNR2ALDH1A1KDM4EHPGD
SCHEMBL1026174 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL1026196 0.81 HSD17B1 (0.49) ALDH1A1KDM4EHPGDGAAPPARA
SCHEMBL1024294 0.80 RAB9A (0.57) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL1027441 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL1024176 0.74 GSK3B (0.37)
SCHEMBL1026985 0.73 HDAC4 (0.40) HSD17B1HSD17B2
SCHEMBL1025641 0.72 ALDH1A1 (0.50) ALDH1A1GAAMAPTPOLBHSD17B1

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 10 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
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 CNR1 1521/4885CNR2 2027/4885ALDH1A1 180/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 CNR1 2397/4885CNR2 3197/4885ALDH1A1 600/4885

“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.