Sugi Predict

Sugi Predict / Compounds / SCHEMBL2238901

SCHEMBL2238901

SCHEMBL2238901

COc1cc(C)c(S(=O)(=O)N(Cc2noc(C(=O)N3CCN(CCCN4CCCC4)CC3)n2)C2CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 16/20 0.42
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ KCNH2 Q12809 2/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ EBP Q15125 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL2236156 0.97 BDKRB1 (0.41) BDKRB1MEN1KMT2AALDH1A1KCNH2
SCHEMBL2236870 0.92 BDKRB1 (0.52) BDKRB1ALDH1A1
SCHEMBL12347447 0.92 BDKRB1 (0.49) BDKRB1ALDH1A1
SCHEMBL2239719 0.91 BDKRB1 (0.42) BDKRB1MEN1KMT2AALDH1A1KCNH2
SCHEMBL12347435 0.90 BDKRB1 (0.51) BDKRB1KCNH2LMNAHTR1AADRA2A
SCHEMBL2239413 0.88 BDKRB1 (0.53) BDKRB1MEN1KMT2AALDH1A1
SCHEMBL2238093 0.87 BDKRB1 (0.44) BDKRB1MEN1KMT2AALDH1A1KCNH2
Trifluoroacetic Acid SCHEMBL2239083 0.87 BDKRB1 (0.46) BDKRB1
SCHEMBL2242211 0.86 BDKRB1 (0.49) BDKRB1
SCHEMBL2237528 0.86 BDKRB1 (0.52) BDKRB1MEN1KMT2AALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 — — US claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US claimed
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

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 BDKRB1 1/4885MEN1 231/4885KMT2A 1859/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885MEN1 349/4885KMT2A 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.