SCHEMBL1936136

SCHEMBL1936136

O=C(O)c1coc(CN(C2CC2)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RORC P51449 3/20 0.32
HDAC6 Q9UBN7 4/20 0.32
HDAC8 Q9BY41 3/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
ITGA4 P13612 2/20 0.31
MAPT P10636 2/20 0.31
CNR1 P21554 1/20 0.31
THRB P10828 1/20 0.30
HDAC11 Q96DB2 1/20 0.30

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
SCHEMBL1934772 0.89 RORC (0.43) TSHRMAPK1HSD17B10RORCHDAC6
SCHEMBL1935973 0.85 MAPT (0.35) TSHRMAPK1HSD17B10RORCMAPT
SCHEMBL1935801 0.85 HDAC6 (0.36) TSHRMAPK1HSD17B10RORCHDAC6
SCHEMBL1935313 0.83 RORC (0.40) TSHRMAPK1HSD17B10RORCHDAC6
SCHEMBL1935711 0.79 RORC (0.43) TSHRMAPK1HSD17B10RORCMEN1
SCHEMBL1934169 0.79 RORC (0.37) TSHRMAPK1HSD17B10RORCHDAC6
SCHEMBL13495550 0.76 HDAC6 (0.36) TSHRMAPK1HSD17B10RORCHDAC6
SCHEMBL1935840 0.75 AVPR1B (0.38) MEN1KMT2AMAPTTHRB
SCHEMBL1935644 0.75 RORC (0.41) HSD17B10RORCHDAC6HDAC8ALDH1A1
SCHEMBL1936797 0.73 MAPT (0.32) HDAC6HDAC8MEN1KMT2AMAPT

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 5 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-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
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 TSHR 962/4885MAPK1 625/4885HSD17B10 3922/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 TSHR 1030/4885MAPK1 639/4885HSD17B10 4089/4885

“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.