SCHEMBL12010261

SCHEMBL12010261

COc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCC(=O)Nc2ccc3c(c2)CCN(C)CC3)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
BDKRB1 P46663 7/20 0.47
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL12010259 0.91 BDKRB1 (0.49) ALDH1A1BDKRB1KMT2AMAPK1MEN1
SCHEMBL3439972 0.90 BDKRB1 (0.42) ALDH1A1BDKRB1KMT2AMAPK1MEN1
SCHEMBL10118933 0.86 BDKRB1 (0.53) ALDH1A1BDKRB1MAPK1
SCHEMBL3439871 0.86 BDKRB1 (0.47) ALDH1A1BDKRB1MAPT
SCHEMBL10118554 0.85 BDKRB1 (0.42) ALDH1A1BDKRB1MAPT
SCHEMBL3439753 0.84 BDKRB1 (0.46) BDKRB1KMT2AMEN1MAPT
SCHEMBL3439940 0.82 BDKRB1 (0.45) BDKRB1MAPK1MAPT
SCHEMBL10118558 0.82 BDKRB1 (0.42) BDKRB1
SCHEMBL12010263 0.82 BDKRB1 (0.42) BDKRB1MAPT
SCHEMBL12010264 0.82 BDKRB1 (0.44) BDKRB1KMT2AMAPK1MEN1

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
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
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 ALDH1A1 279/4885BDKRB1 6/4885KMT2A 4086/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 ALDH1A1 428/4885BDKRB1 7/4885KMT2A 4390/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 ALDH1A1 2740/4885BDKRB1 80/4885KMT2A 3075/4885

“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.