SCHEMBL1935700

SCHEMBL1935700

CN(Cc1cc(C(=O)O)co1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
NMT1 P30419 1/20 0.36
KMT2A Q03164 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.34
TEX264 Q9Y6I9 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 4/20 0.31
NR1H4 Q96RI1 1/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
NR4A2 P43354 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
ACLY P53396 1/20 0.31
GAA P10253 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1934401 0.87 NR1H4 (0.43) L3MBTL1KMT2ASMN1; SMN2APPTEX264
SCHEMBL1934973 0.85 TP53 (0.40) NMT1KMT2AALDH1A1MAPTGAA
SCHEMBL1935780 0.82 HDAC6 (0.38) L3MBTL1KMT2AHDAC3HDAC11HDAC8
SCHEMBL1935523 0.78 ALDH1A1 (0.46) L3MBTL1KMT2ASMN1; SMN2APPTEX264
SCHEMBL1935705 0.78 CA12 (0.38) L3MBTL1KMT2ASMN1; SMN2APPTEX264
SCHEMBL1935740 0.76 NR4A2 (0.41) L3MBTL1NR4A2
SCHEMBL1935311 0.76 PTPN1 (0.43) L3MBTL1KMT2ASMN1; SMN2APPTEX264
SCHEMBL2236832 0.74 BDKRB1 (0.51) KMT2AALDH1A1POLB
SCHEMBL1935797 0.73 KMT2A (0.46) KMT2ASMN1; SMN2ALDH1A1MEN1NR1H4
SCHEMBL1935808 0.73 TP53 (0.42) L3MBTL1KMT2AALDH1A1MEN1POLB

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 L3MBTL1 2404/4885NMT1 2123/4885KMT2A 1859/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 L3MBTL1 2744/4885NMT1 2109/4885KMT2A 2057/4885

“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.