SCHEMBL1934772

SCHEMBL1934772

O=C(O)c1coc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.43
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.34
ITGA4 P13612 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FAAH O00519 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
TRPV4 Q9HBA0 3/20 0.33
PTGER1 P34995 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL1936136 0.89 TSHR (0.32) RORCMAPTTHRBITGA4TSHR
SCHEMBL1935801 0.86 HDAC6 (0.36) RORCMAPTTHRBITGA4TSHR
SCHEMBL1935644 0.86 RORC (0.41) RORCMAPTTHRBTRPV4HSD17B10
SCHEMBL1935973 0.83 MAPT (0.35) RORCMAPTTHRBTSHRMAPK1
SCHEMBL1935313 0.82 RORC (0.40) RORCMAPTTHRBITGA4TSHR
SCHEMBL1935711 0.78 RORC (0.43) RORCMAPTTHRBTSHRMAPK1
SCHEMBL1934169 0.78 RORC (0.37) RORCMAPTTHRBTSHRMAPK1
SCHEMBL13495550 0.78 HDAC6 (0.36) RORCMAPTTHRBITGA4TSHR
SCHEMBL12347107 0.76 BDKRB1 (0.43) RORC
Trifluoroacetic Acid SCHEMBL2238800 0.74 BDKRB1 (0.41) RORCITGA4

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 RORC 4444/4885MAPT 2733/4885THRB 391/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 RORC 4539/4885MAPT 2466/4885THRB 421/4885

“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.