Sugi Predict

Sugi Predict / Compounds / SCHEMBL2236035

SCHEMBL2236035

SCHEMBL2236035

COc1cc(C)c(S(=O)(=O)N(Cc2nnc(C(=O)N3CCN(CCCN4CCCC4)CC3)s2)C2CC2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 16/20 0.43
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RORC P51449 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ EBP Q15125 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL2234950 0.91 BDKRB1 (0.42) BDKRB1MEN1KMT2AALOX15
SCHEMBL2238975 0.89 BDKRB1 (0.51) BDKRB1LMNAHTR1AADRA2ACYP2D6
SCHEMBL2237793 0.88 BDKRB1 (0.54) BDKRB1MEN1KMT2A
SCHEMBL2242186 0.86 BDKRB1 (0.50) BDKRB1
SCHEMBL2243624 0.86 BDKRB1 (0.53) BDKRB1MEN1KMT2A
SCHEMBL2240530 0.83 BDKRB1 (0.43) BDKRB1MEN1KMT2AKCNH2
SCHEMBL2238901 0.80 BDKRB1 (0.42) BDKRB1MEN1KMT2ALMNAHTR1A
SCHEMBL12346987 0.80 BDKRB1 (0.42) BDKRB1MEN1KMT2ALMNAHTR1A
SCHEMBL12346738 0.80 BDKRB1 (0.43) BDKRB1MEN1KMT2ALMNAHTR1A
SCHEMBL2239730 0.80 BDKRB1 (0.42) BDKRB1MEN1KMT2AKCNH2

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.