SCHEMBL1936152

SCHEMBL1936152

CCOC(=O)c1coc(CN(C)S(=O)(=O)c2c(C)cc(OC)cc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.40
BDKRB1 P46663 14/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
STS P08842 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
SCHEMBL1935760 0.92 CYP3A4 (0.37) CYP3A4HPGDMAPK1BDKRB1MAPT
SCHEMBL1935234 0.90 BDKRB1 (0.41) CYP3A4HPGDMAPK1BDKRB1
SCHEMBL1935906 0.89 CYP3A4 (0.38) CYP3A4HPGDMAPK1BDKRB1MAPT
SCHEMBL1935567 0.89 CYP3A4 (0.40) CYP3A4HPGDMAPK1BDKRB1MAPT
SCHEMBL1935871 0.88 HPGD (0.39) CYP3A4HPGDMAPK1BDKRB1MAPT
SCHEMBL1935740 0.87 NR4A2 (0.41) BDKRB1
SCHEMBL1935873 0.87 CYP3A4 (0.39) CYP3A4HPGDMAPK1BDKRB1MAPT
SCHEMBL1935363 0.86 MEN1 (0.39) CYP3A4HPGDMAPK1BDKRB1MAPT
SCHEMBL1935704 0.85 LMNA (0.41) CYP3A4HPGDMAPTTSHR
SCHEMBL1935850 0.85 MEN1 (0.43) CYP3A4HPGDMAPK1BDKRB1MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 CYP3A4 1612/4885HPGD 540/4885MAPK1 625/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 CYP3A4 1484/4885HPGD 577/4885MAPK1 639/4885

“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.