SCHEMBL3440101

SCHEMBL3440101

COc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCC(=O)N(C)Cc2ccc(N(C)CCN(C)C)nc2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.45
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL15314398 0.91 MAPT (0.42) BDKRB1GLAMAPTL3MBTL1PKM
SCHEMBL3439973 0.88 BDKRB1 (0.47) BDKRB1GLAMAPTL3MBTL1PKM
SCHEMBL3440105 0.86 BDKRB1 (0.44) BDKRB1GLAMAPTL3MBTL1PKM
SCHEMBL3440014 0.86 BDKRB1 (0.46) BDKRB1GLAMAPTL3MBTL1PKM
SCHEMBL3440598 0.85 L3MBTL1 (0.43) BDKRB1GLAMAPTL3MBTL1PKM
SCHEMBL10118595 0.85 BDKRB1 (0.49) BDKRB1GLAMAPTL3MBTL1PKM
SCHEMBL12010286 0.84 BDKRB1 (0.49) BDKRB1GLAMAPTL3MBTL1PKM
SCHEMBL12010190 0.84 BDKRB1 (0.61) BDKRB1
SCHEMBL12010270 0.82 BDKRB1 (0.46) BDKRB1GLAMAPTL3MBTL1PKM
SCHEMBL3439892 0.82 BDKRB1 (0.47) BDKRB1GLAMAPTL3MBTL1PKM

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 18 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
EP-2284166-B1 Arylsulfonamides with analgetic activity BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP 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
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
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 6/4885GLA 2397/4885MAPT 3687/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 BDKRB1 7/4885GLA 2429/4885MAPT 3546/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 BDKRB1 80/4885GLA 3197/4885MAPT 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.