SCHEMBL1935333

SCHEMBL1935333

CCOC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1c(C)cc(OC)cc1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
BDKRB1 P46663 8/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3230489 0.87 MAPK1 (0.46) MAPK1KMT2APKMBDKRB1MAPT
SCHEMBL1936191 0.84 KMT2A (0.45) KMT2AHPGDCYP3A4BDKRB1MAPT
SCHEMBL16611857 0.82 HPGD (0.44) KMT2APOLBHPGDCYP3A4ALDH1A1
SCHEMBL12010517 0.81 PKM (0.51) MAPK1KMT2APKMBDKRB1MAPT
SCHEMBL3440256 0.81 BDKRB1 (0.44) BDKRB1
SCHEMBL12012193 0.80 ALDH1A1 (0.52) MAPK1KMT2APKMBDKRB1MAPT
SCHEMBL2236762 0.79 MAPK1 (0.50) MAPK1KMT2APKMBDKRB1MAPT
SCHEMBL3439884 0.78 PKM (0.48) MAPK1KMT2APKMBDKRB1MAPT
SCHEMBL2237548 0.78 MAPK1 (0.47) MAPK1KMT2APKMPOLBCYP3A4
SCHEMBL12010520 0.77 BDKRB1 (0.46) MAPK1KMT2AHPGDCYP3A4BDKRB1

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 6 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-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
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP 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 MAPK1 625/4885KMT2A 1859/4885PKM 1146/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MAPK1 639/4885KMT2A 2057/4885PKM 1318/4885

“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.