SCHEMBL2570855

SCHEMBL2570855

CN(CCc1ccncc1)C(=O)COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.41
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FKBP1A P62942 3/20 0.37
FKBP4 Q02790 1/20 0.37
FKBP5 Q13451 1/20 0.37
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
GRM5 P41594 1/20 0.35
CASP3 P42574 3/20 0.35
CASP7 P55210 2/20 0.35
DAGLB Q8NCG7 1/20 0.34
SPR P35270 1/20 0.34
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2564524 0.85 BDKRB1 (0.39) ALDH1A1LMNASMN1; SMN2FKBP1ACASP3
SCHEMBL2566757 0.81 PAX8 (0.53) PAX8ALDH1A1LMNASMN1; SMN2PSEN1
SCHEMBL2567483 0.78 ALDH1A1 (0.45) PAX8ALDH1A1FKBP1AFKBP4FKBP5
SCHEMBL4119264 0.77 CNR1 (0.42) FKBP1APSEN1PSEN2APH1BNCSTN
SCHEMBL2567500 0.77 SPR (0.48) PAX8SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL3409752 0.75 PSEN1 (0.35) ALDH1A1FKBP1APSEN1PSEN2APH1B
SCHEMBL2566147 0.75 GRM5 (0.48) ALDH1A1LMNAGRM5
SCHEMBL2567258 0.74 MEN1 (0.41) PAX8ALDH1A1KMT2A
SCHEMBL2567263 0.74 GAA (0.42) PAX8KMT2A
SCHEMBL2569914 0.74 OPRK1 (0.49) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PAX8 2313/4885ALDH1A1 1535/4885LMNA 2964/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PAX8 2313/4885ALDH1A1 1535/4885LMNA 2964/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 PAX8 2313/4885ALDH1A1 1535/4885LMNA 2964/4885

“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.