SCHEMBL1935571

SCHEMBL1935571

COc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)O)co2)c2ccccc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NSD2 O96028 1/20 0.42
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KEAP1 Q14145 2/20 0.39
NR4A2 P43354 1/20 0.39
TAS2R14 Q9NYV8 5/20 0.39
PTGES O14684 2/20 0.39
ALOX5 P09917 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1935704 0.90 LMNA (0.41) MEN1KMT2ANSD2ESR1POLB
SCHEMBL1935740 0.85 NR4A2 (0.41) L3MBTL1NR4A2TAS2R14
SCHEMBL1936674 0.82 NR4A2 (0.39) L3MBTL1KEAP1NR4A2TAS2R14PTGES
SCHEMBL1935721 0.82 TAS2R14 (0.45) L3MBTL1ALDH1A1NR4A2TAS2R14PTGES
SCHEMBL1934593 0.79 AVPR1B (0.39) MEN1KMT2AL3MBTL1NR4A2TAS2R14
SCHEMBL1934426 0.78 AVPR1B (0.42) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL2239622 0.78 BDKRB1 (0.56)
SCHEMBL1935716 0.78 TAS2R14 (0.45) NR4A2TAS2R14PTGES
SCHEMBL1935951 0.78 BDKRB1 (0.43) NR4A2
SCHEMBL1935570 0.77 BDKRB1 (0.37) L3MBTL1NR4A2TAS2R14

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 MEN1 231/4885KMT2A 1859/4885NSD2 3971/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MEN1 349/4885KMT2A 2057/4885NSD2 4123/4885

“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.