SCHEMBL3440598

SCHEMBL3440598

COc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCC(=O)N(C)Cc2cccc(N(C)CCN(C)C)n2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
BDKRB1 P46663 4/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 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
SCHEMBL3439883 0.87 GLA (0.43) L3MBTL1GLAMAPTBDKRB1PKM
SCHEMBL3440101 0.85 BDKRB1 (0.45) L3MBTL1GLAMAPTBDKRB1PKM
SCHEMBL3439872 0.84 BDKRB1 (0.55) BDKRB1
SCHEMBL3439973 0.82 BDKRB1 (0.47) L3MBTL1GLAMAPTBDKRB1PKM
SCHEMBL3439974 0.81 BDKRB1 (0.40) L3MBTL1GLAMAPTBDKRB1PKM
SCHEMBL12010262 0.81 BDKRB1 (0.44) L3MBTL1GLAMAPTBDKRB1PKM
SCHEMBL12010257 0.80 BDKRB1 (0.44) L3MBTL1GLAMAPTBDKRB1PKM
SCHEMBL10118595 0.80 BDKRB1 (0.49) L3MBTL1GLAMAPTBDKRB1PKM
SCHEMBL13016900 0.79 BDKRB1 (0.46) L3MBTL1GLAMAPTBDKRB1PKM
SCHEMBL12010286 0.77 BDKRB1 (0.49) L3MBTL1GLAMAPTBDKRB1PKM

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 14 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-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
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-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 L3MBTL1 3278/4885GLA 2397/4885MAPT 3687/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 L3MBTL1 3968/4885GLA 2429/4885MAPT 3546/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 L3MBTL1 2625/4885GLA 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.