SCHEMBL2568100

SCHEMBL2568100

N#CCCN1CCN(C(=O)COCC2CCCCN2S(=O)(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
GRM5 P41594 1/20 0.35
CYP3A4 P08684 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL2568748 0.90 PSEN1 (0.43) ATMCNR1ALDH1A1SMN1; SMN2TP53
SCHEMBL2567635 0.86 CHRM3 (0.42) TSHRATMALDH1A1SMN1; SMN2TP53
SCHEMBL2566318 0.85 MAPT (0.40) MAPTATMCNR1ALDH1A1SMN1; SMN2
SCHEMBL2564519 0.85 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2GRM5
SCHEMBL2568136 0.85 ATM (0.41) MAPTATMCNR1ALDH1A1SMN1; SMN2
SCHEMBL2568592 0.85 BDKRB1 (0.44) ATMCNR1PSEN1PSEN2APH1B
SCHEMBL2567222 0.85 ATM (0.38) ATMCNR1ALDH1A1SMN1; SMN2TP53
SCHEMBL2565189 0.84 LMNA (0.43) ATMCNR1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2569119 0.84 DRD2 (0.43) ATMCNR1
SCHEMBL2568401 0.84 ATM (0.43) GAAATMCNR1PSEN1PSEN2

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-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
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 GAA 234/4885TSHR 2684/4885MAPT 2195/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 GAA 234/4885TSHR 2684/4885MAPT 2195/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 GAA 234/4885TSHR 2684/4885MAPT 2195/4885

“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.