SCHEMBL1934735

SCHEMBL1934735

COc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(C(=O)O)o2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
BDKRB1 P46663 6/20 0.43
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 3/20 0.41
ESR1 P03372 1/20 0.41
NR4A1 P22736 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
ESR2 Q92731 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TAS2R14 Q9NYV8 2/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL1935975 0.87 NR1H2 (0.52) NPC1RAB9AHSP90AA1KMT2ABDKRB1
SCHEMBL1936693 0.81 APEX1 (0.51) NPC1RAB9ABDKRB1TDP1POLB
SCHEMBL1936233 0.79 BDKRB1 (0.42) NPC1RAB9ABDKRB1ALDH1A1RECQL
SCHEMBL1935740 0.79 NR4A2 (0.41) BDKRB1TAS2R14L3MBTL1
SCHEMBL2239571 0.76 BDKRB1 (0.62) SMN1; SMN2BDKRB1ALDH1A1POLBL3MBTL1
SCHEMBL7015698 0.76 NPC1 (0.56) NPC1RAB9AHSP90AA1SMN1; SMN2KMT2A
SCHEMBL1935765 0.75 BDKRB1 (0.40) NPC1RAB9AKMT2ABDKRB1ALDH1A1
SCHEMBL3443096 0.75 KEAP1 (0.49) KMT2ABDKRB1ALDH1A1MAPK1L3MBTL1
SCHEMBL12355138 0.75 KMT2A (0.51) SMN1; SMN2KMT2AALDH1A1POLBTAS2R14
SCHEMBL3440414 0.74 BDKRB1 (0.46) KMT2ABDKRB1MAPK1

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 NPC1 2189/4885RAB9A 2719/4885HSP90AA1 3558/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NPC1 2117/4885RAB9A 2507/4885HSP90AA1 3662/4885

“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.