SCHEMBL12010293

SCHEMBL12010293

COc1cc(C)c(S(=O)(=O)N(C)CCC(=O)NCC(=O)N(C)Cc2ccc(CNC3CCCC3)cc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.47
ALDH1A1 P00352 1/20 0.39
TSHR P16473 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
SCHEMBL12012181 0.92 BDKRB1 (0.46) BDKRB1ALDH1A1TSHR
SCHEMBL3440237 0.85 BDKRB1 (0.64) BDKRB1
SCHEMBL15372765 0.82 PKM (0.46) BDKRB1ALDH1A1
SCHEMBL3440371 0.79 BDKRB1 (0.46) BDKRB1
SCHEMBL3439843 0.79 BDKRB1 (0.63) BDKRB1
SCHEMBL12010292 0.79 BDKRB1 (0.51) BDKRB1
SCHEMBL3440453 0.78 BDKRB1 (0.55) BDKRB1
SCHEMBL3440425 0.77 BDKRB1 (0.65) BDKRB1ALDH1A1TSHR
SCHEMBL10118595 0.77 BDKRB1 (0.49) BDKRB1ALDH1A1
SCHEMBL10118775 0.77 BDKRB1 (0.52) BDKRB1ALDH1A1

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-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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 (3 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 BDKRB1 6/4885ALDH1A1 279/4885TSHR 927/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 BDKRB1 7/4885ALDH1A1 428/4885TSHR 658/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 BDKRB1 80/4885ALDH1A1 2740/4885TSHR 2657/4885

“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.