SCHEMBL1025293

SCHEMBL1025293

CN(C(=O)OC(C)(C)C)N1Cc2ccsc2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
ADAM17 P78536 1/20 0.33
ADAM9 Q13443 1/20 0.33
KMT2A Q03164 1/20 0.33
ACE P12821 1/20 0.32
KCNQ2 O43526 4/20 0.32
HSP90AA1 P07900 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
ESR2 Q92731 1/20 0.31
THRB P10828 1/20 0.31
BRD4 O60885 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL1027418 0.81 MAPK1 (0.42) KMT2AESR2MAPK1
SCHEMBL1024698 0.75 ESR2 (0.39) CYP2C19CYP1A2ESR2KCNH2NR1H2
SCHEMBL27832769 0.74 DPP9 (0.47) ESR2KCNH2
SCHEMBL28824366 0.74 ESR2 (0.48) KMT2AESR2MAPK1NR1H2
SCHEMBL31563920 0.73 DRD2 (0.37) KMT2A
SCHEMBL27812458 0.72 KCNH2 (0.42) KCNH2
SCHEMBL31564041 0.70 DRD2 (0.49) KMT2A
SCHEMBL1026720 0.69 PREP (0.35)
SCHEMBL31564185 0.69 DRD2 (0.41) KMT2AALDH1A1
SCHEMBL1015935 0.68 ESR2 (0.58) KCNQ2HSP90AA1ESR2BRD4MAPK1

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 MMP9 104/4885MMP1 250/4885MMP3 11/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 MMP9 1287/4885MMP1 2064/4885MMP3 1341/4885

“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.