SCHEMBL1935313

SCHEMBL1935313

O=C(O)c1coc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
HDAC6 Q9UBN7 6/20 0.38
HDAC8 Q9BY41 5/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC11 Q96DB2 2/20 0.36
C1R P00736 1/20 0.34
PRSS1 P07477 1/20 0.34
MAPT P10636 2/20 0.34
DAGLA Q9Y4D2 1/20 0.34
HDAC3 O15379 1/20 0.34
THRB P10828 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGA4 P13612 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
SCHEMBL1934169 0.93 RORC (0.37) RORCHDAC6HDAC8TSHRMAPK1
SCHEMBL1935801 0.89 HDAC6 (0.36) RORCHDAC6HDAC8TSHRMAPK1
SCHEMBL1936136 0.83 TSHR (0.32) RORCHDAC6HDAC8TSHRMAPK1
SCHEMBL1934772 0.82 RORC (0.43) RORCHDAC6HDAC8TSHRMAPK1
SCHEMBL13495550 0.80 HDAC6 (0.36) RORCHDAC6HDAC8TSHRMAPK1
SCHEMBL1935372 0.80 RORC (0.34) RORCHDAC6HDAC8HDAC11MAPT
SCHEMBL1935973 0.79 MAPT (0.35) RORCTSHRMAPK1HSD17B10MAPT
SCHEMBL1935711 0.79 RORC (0.43) RORCTSHRMAPK1HSD17B10MAPT
SCHEMBL1935840 0.77 AVPR1B (0.38) MAPTTHRBKMT2A
SCHEMBL1935266 0.75 HDAC6 (0.34) RORCHDAC6HDAC8HDAC11MAPT

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 4444/4885HDAC6 4741/4885HDAC8 4255/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 RORC 4539/4885HDAC6 4678/4885HDAC8 4265/4885

“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.