SCHEMBL2568550

SCHEMBL2568550

CN1CCC(N2CCN(C(=O)COCC3CCCN3S(=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
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
CASP3 P42574 4/20 0.36
CASP7 P55210 4/20 0.36
CASP1 P29466 2/20 0.36
ACHE P22303 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
F10 P00742 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM4 P08173 1/20 0.34
L3MBTL3 Q96JM7 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
SCHEMBL2565040 0.97 BDKRB1 (0.43) BDKRB1LMNASMN1; SMN2CASP3CASP7
SCHEMBL2565021 0.88 HCRTR1 (0.44) BDKRB1BRD4BRD2CASP3CASP7
SCHEMBL2569646 0.88 BDKRB1 (0.46) BDKRB1SMN1; SMN2ACHEALDH1A1GAA
SCHEMBL2569987 0.88 BDKRB1 (0.46) BDKRB1ACHEL3MBTL3L3MBTL1KDM4E
SCHEMBL2567193 0.87 BDKRB1 (0.44) BDKRB1SMN1; SMN2ACHEALDH1A1MAPT
SCHEMBL15204220 0.86 BDKRB1 (0.44) BDKRB1SMN1; SMN2ACHENPSR1L3MBTL3
Hydrochloric Acid SCHEMBL2563958 0.86 BDKRB1 (0.44) BDKRB1SMN1; SMN2ACHEL3MBTL3L3MBTL1
SCHEMBL2568024 0.84 BDKRB1 (0.44) BDKRB1SMN1; SMN2ACHENPSR1L3MBTL3
SCHEMBL2566060 0.84 ACHE (0.46) BDKRB1SMN1; SMN2ACHEALDH1A1NPSR1
SCHEMBL2567959 0.84 BDKRB1 (0.44) BDKRB1BRD4BRD2CASP3CASP7

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 2368/4885LMNA 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.