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SCHEMBL1935567

SCHEMBL1935567

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ PKM P14618 1/20 0.34
▸ BDKRB1 P46663 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL1935873 0.92 CYP3A4 (0.39) CYP3A4HPGDNR1H2NR1H3MAPT
SCHEMBL1936152 0.89 CYP3A4 (0.41) CYP3A4HPGDMAPTTSHRMAPK1
SCHEMBL1935721 0.89 TAS2R14 (0.45) TAS2R14BDKRB1ALDH1A1
SCHEMBL1936425 0.88 TAS2R14 (0.38) CYP3A4HPGDNR1H2NR1H3MAPT
SCHEMBL1935871 0.86 HPGD (0.39) CYP3A4HPGDNR1H2NR1H3MAPT
SCHEMBL1935363 0.84 MEN1 (0.39) CYP3A4HPGDMAPTTSHRMAPK1
SCHEMBL1935704 0.83 LMNA (0.41) CYP3A4HPGDMAPTTSHRMEN1
SCHEMBL1935850 0.83 MEN1 (0.43) CYP3A4HPGDMAPTTSHRMAPK1
SCHEMBL1935234 0.82 BDKRB1 (0.41) CYP3A4HPGDMAPK1BDKRB1
SCHEMBL1935760 0.82 CYP3A4 (0.37) CYP3A4HPGDMAPTTSHRMAPK1

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 540/4885NR1H2 1242/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 CYP3A4 1484/4885HPGD 577/4885NR1H2 1189/4885

“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.