SCHEMBL2570934

SCHEMBL2570934

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N2CCC(CCN3CCCCC3)CC2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.51
HTR7 P34969 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL15204117 0.99 BDKRB1 (0.52) BDKRB1HTR7TMEM97SIGMAR1
SCHEMBL2566397 0.99 BDKRB1 (0.52) BDKRB1HTR7TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL2569496 0.98 BDKRB1 (0.51) BDKRB1HTR7TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL3775457 0.98 BDKRB1 (0.51) BDKRB1HTR7TMEM97SIGMAR1
SCHEMBL2570207 0.98 BDKRB1 (0.51) BDKRB1
SCHEMBL2564522 0.97 BDKRB1 (0.52) BDKRB1HTR7
Hydrochloric Acid SCHEMBL2570710 0.97 BDKRB1 (0.51) BDKRB1HTR7
SCHEMBL2566857 0.92 BDKRB1 (0.55) BDKRB1
SCHEMBL14411698 0.91 BDKRB1 (0.51) BDKRB1HTR7
SCHEMBL2568712 0.88 BDKRB1 (0.41) BDKRB1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP claimed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885HTR7 1762/4885TMEM97 773/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885HTR7 1762/4885TMEM97 773/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885HTR7 1762/4885TMEM97 773/4885

“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.