SCHEMBL2565040

SCHEMBL2565040

CN1CCC(N2CCN(C(=O)COCC3CCCCN3S(=O)(=O)c3c(Cl)cc(C(F)(F)F)cc3Cl)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.43
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP1 P29466 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
THRB P10828 1/20 0.35
ACHE P22303 1/20 0.35
CNR1 P21554 1/20 0.35
F10 P00742 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
PKM P14618 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
SCHEMBL2568550 0.97 BDKRB1 (0.43) BDKRB1LMNASMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL2569987 0.91 BDKRB1 (0.46) BDKRB1L3MBTL3L3MBTL1THRBACHE
SCHEMBL2565021 0.91 HCRTR1 (0.44) BDKRB1L3MBTL3L3MBTL1CASP1CASP3
SCHEMBL15204220 0.89 BDKRB1 (0.44) BDKRB1SMN1; SMN2L3MBTL3L3MBTL1THRB
Hydrochloric Acid SCHEMBL2563958 0.88 BDKRB1 (0.44) BDKRB1SMN1; SMN2L3MBTL3L3MBTL1THRB
SCHEMBL2568024 0.87 BDKRB1 (0.44) BDKRB1SMN1; SMN2L3MBTL3L3MBTL1ACHE
Hydrochloric Acid SCHEMBL2565202 0.86 BDKRB1 (0.43) BDKRB1L3MBTL3L3MBTL1ACHECNR1
SCHEMBL2566316 0.86 HCRTR1 (0.44) BDKRB1CASP1CASP3CASP7ALDH1A1
SCHEMBL2569646 0.85 BDKRB1 (0.46) BDKRB1SMN1; SMN2L3MBTL3L3MBTL1ACHE
SCHEMBL2570227 0.85 BDKRB1 (0.47) BDKRB1CASP1CASP3CASP7CNR1

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 13 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
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US claimed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 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
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885LMNA 2964/4885SMN1; SMN2 45/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885LMNA 2964/4885SMN1; SMN2 45/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885LMNA 2964/4885SMN1; SMN2 45/4885

“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.