SCHEMBL1935801

SCHEMBL1935801

O=C(O)c1coc(CN(C2CC2)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.36
HDAC8 Q9BY41 6/20 0.36
ITGA4 P13612 2/20 0.35
HDAC11 Q96DB2 2/20 0.34
MAPT P10636 2/20 0.33
RORC P51449 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC3 O15379 1/20 0.32
THRB P10828 2/20 0.32
CNR1 P21554 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
SCHEMBL13495550 0.91 HDAC6 (0.36) HDAC6HDAC8ITGA4HDAC11MAPT
SCHEMBL1935313 0.89 RORC (0.40) HDAC6HDAC8ITGA4HDAC11MAPT
SCHEMBL1934772 0.86 RORC (0.43) HDAC6HDAC8ITGA4MAPTRORC
SCHEMBL1935266 0.85 HDAC6 (0.34) HDAC6HDAC8HDAC11MAPTRORC
SCHEMBL1936136 0.85 TSHR (0.32) HDAC6HDAC8ITGA4HDAC11MAPT
SCHEMBL1934169 0.83 RORC (0.37) HDAC6HDAC8HDAC11MAPTRORC
SCHEMBL1935973 0.81 MAPT (0.35) MAPTRORCTSHRMAPK1HSD17B10
SCHEMBL1935840 0.79 AVPR1B (0.38) MAPTTHRB
SCHEMBL12347119 0.78 EP300 (0.37) HDAC6HDAC8HDAC11RORC
Trifluoroacetic Acid SCHEMBL2237264 0.76 HTT (0.35) HDAC6HDAC8HDAC11RORC

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 11 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

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 HDAC6 4741/4885HDAC8 4255/4885ITGA4 3165/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HDAC6 4678/4885HDAC8 4265/4885ITGA4 2672/4885

“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.