SCHEMBL1934401

SCHEMBL1934401

CN(Cc1cc(C(=O)O)co1)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.43
KMT2A Q03164 7/20 0.39
POLB P06746 3/20 0.39
APP P05067 1/20 0.38
TEX264 Q9Y6I9 1/20 0.38
MEN1 O00255 4/20 0.38
DAGLA Q9Y4D2 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TAS2R14 Q9NYV8 2/20 0.36

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
SCHEMBL1935700 0.87 L3MBTL1 (0.36) NR1H4KMT2APOLBAPPTEX264
SCHEMBL1935797 0.86 KMT2A (0.46) NR1H4KMT2APOLBMEN1DAGLA
SCHEMBL1935808 0.85 TP53 (0.42) KMT2APOLBMEN1LMNAMAPT
SCHEMBL1935523 0.81 ALDH1A1 (0.46) KMT2APOLBAPPTEX264MEN1
SCHEMBL1935705 0.79 CA12 (0.38) KMT2APOLBAPPTEX264MEN1
SCHEMBL1935740 0.77 NR4A2 (0.41) L3MBTL1TAS2R14
SCHEMBL2240104 0.75 BDKRB1 (0.44) KMT2APOLBMEN1LMNAALDH1A1
SCHEMBL2237019 0.74 BDKRB1 (0.61) KMT2APOLBALDH1A1
SCHEMBL2239009 0.74 LMNA (0.54) KMT2APOLBMEN1LMNAALDH1A1
SCHEMBL1935636 0.73 TP53 (0.44) KMT2APOLBMEN1DAGLALMNA

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 NR1H4 954/4885KMT2A 1859/4885POLB 2370/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NR1H4 936/4885KMT2A 2057/4885POLB 2675/4885

“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.