SCHEMBL1935372

SCHEMBL1935372

Cc1cccc(Cl)c1S(=O)(=O)N(Cc1nc(C(=O)OC(C)C)co1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
HDAC6 Q9UBN7 5/20 0.34
HDAC8 Q9BY41 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
AKR1C3 P42330 1/20 0.32
CCL5 P13501 1/20 0.32
CCR5 P51681 1/20 0.32
PYGL P06737 4/20 0.32
PYGM P11217 4/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
THRB P10828 1/20 0.31
CCR1 P32246 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
SCHEMBL1934424 0.95 RORC (0.38) RORCHDAC6HDAC8ALDH1A1LMNA
SCHEMBL1934169 0.87 RORC (0.37) RORCHDAC6HDAC8HDAC11AKR1C3
SCHEMBL1935266 0.85 HDAC6 (0.34) RORCHDAC6HDAC8ALDH1A1HDAC11
SCHEMBL1936797 0.83 MAPT (0.32) HDAC6HDAC8MAPTTDP1THRB
SCHEMBL1935313 0.80 RORC (0.40) RORCHDAC6HDAC8HDAC11MAPT
SCHEMBL1936033 0.79 RORC (0.41) RORCALDH1A1MAPTTHRB
SCHEMBL13495619 0.78 SLC40A1 (0.39) ALDH1A1LMNAPYGLPYGMMAPT
SCHEMBL12347146 0.77 HTT (0.37) RORCHDAC6HDAC8
SCHEMBL12347140 0.74 BDKRB1 (0.46)
Trifluoroacetic Acid SCHEMBL2236586 0.73 HTT (0.36) RORCHDAC6HDAC8

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 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.