SCHEMBL3440286

SCHEMBL3440286

COc1cc(C)c(S(=O)(=O)N(C)CCC(=O)Nc2ccc(N3CCN(Cc4nccn4C)CC3)cc2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.48
GFER P55789 1/20 0.43
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.40
CACNA1G O43497 1/20 0.40
REV1 Q9UBZ9 1/20 0.40

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
SCHEMBL3440529 0.86 GFER (0.43) BDKRB1GFERMAPTTHRBMEN1
SCHEMBL3444042 0.86 BDKRB1 (0.57) BDKRB1GFERMAPTTHRBMEN1
SCHEMBL3439838 0.86 MAPT (0.49) BDKRB1GFERMAPTTHRBMEN1
SCHEMBL3439617 0.85 BDKRB1 (0.48) BDKRB1GFERMAPTMEN1KMT2A
SCHEMBL3440040 0.85 BDKRB1 (0.53) BDKRB1GFERMAPTTHRBMEN1
SCHEMBL13876891 0.83 GFER (0.43) BDKRB1GFERMAPTTHRBMEN1
SCHEMBL3440396 0.83 NPC1 (0.48) BDKRB1GFERMAPTMEN1KMT2A
SCHEMBL14958754 0.83 MAPT (0.54) BDKRB1MAPTMEN1KMT2ATP53
SCHEMBL3440534 0.81 BDKRB1 (0.47) BDKRB1GFERMAPTMEN1KMT2A
SCHEMBL12912382 0.81 BDKRB1 (0.49) BDKRB1GFERMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
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
EP-2402329-B1 Analgetic phenylsulphonamides BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP 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
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP 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
EP-2284166-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP 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
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 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 (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 6/4885GFER 1286/4885MAPT 3687/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 BDKRB1 7/4885GFER 1768/4885MAPT 3546/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 BDKRB1 80/4885GFER 4521/4885MAPT 2138/4885

“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.