SCHEMBL1935975

SCHEMBL1935975

CCOC(=O)c1ccc(CN(C)S(=O)(=O)c2c(C)cc(OC)cc2C)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
BDKRB1 P46663 2/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 4/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
TLR2 O60603 1/20 0.41
NSD2 O96028 1/20 0.41
PKM P14618 1/20 0.41
MPI P34949 1/20 0.41
GRK6 P43250 1/20 0.41
RECQL P46063 1/20 0.41
TLR1 Q15399 1/20 0.41

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
SCHEMBL1934735 0.87 NPC1 (0.48) BDKRB1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL1935758 0.80 CYP3A4 (0.41) BDKRB1MAPTNPC1RAB9AHPGD
SCHEMBL1936152 0.80 CYP3A4 (0.41) BDKRB1MAPTHPGDCYP3A4TSHR
SCHEMBL1934413 0.78 CYP3A4 (0.41) BDKRB1HPGDCYP3A4
SCHEMBL1935765 0.75 BDKRB1 (0.40) BDKRB1ALDH1A1MAPTNPC1RAB9A
SCHEMBL9217098 0.75 ALDH1A1 (0.56) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL1934263 0.74 CYP3A4 (0.42) BDKRB1MAPTHPGDCYP3A4POLB
SCHEMBL1935248 0.74 TSHR (0.42) BDKRB1MAPTLMNAHPGDCYP3A4
SCHEMBL1935688 0.74 HTT (0.44) BDKRB1MAPTLMNAHPGDCYP3A4
SCHEMBL1936693 0.74 APEX1 (0.51) BDKRB1NPC1RAB9AL3MBTL1POLB

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 NR1H2 1242/4885NR1H3 1407/4885BDKRB1 1/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NR1H2 1189/4885NR1H3 1313/4885BDKRB1 1/4885

“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.