SCHEMBL2566145

SCHEMBL2566145

COc1ccc(N2CCN(C(=O)COCC3CCCN3S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MAPT P10636 6/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2568276 0.97 MAPK1 (0.47) MAPK1MAPTHTTNPSR1KMT2A
SCHEMBL2568688 0.92 NPSR1 (0.53) MAPK1MAPTHTTNPSR1KMT2A
SCHEMBL2567394 0.92 MAPT (0.48) MAPK1MAPTHTTNPSR1KMT2A
SCHEMBL2563952 0.90 TDP1 (0.48) MAPK1MAPTHTTNPSR1KMT2A
SCHEMBL2564531 0.89 SMN1; SMN2 (0.46) MAPK1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2568593 0.88 GRIN1 (0.46) MAPK1MAPTHTTKMT2AMEN1
SCHEMBL2568343 0.87 ALDH1A1 (0.45) MAPTHTTNPSR1KMT2ASMN1; SMN2
SCHEMBL2563806 0.87 MAPK1 (0.46) MAPK1MAPTHTTNPSR1KMT2A
SCHEMBL2569115 0.87 HTT (0.52) MAPTHTTNPSR1KMT2AMEN1
SCHEMBL2568731 0.87 ALDH1A1 (0.55) MAPTHTTKMT2AMEN1SMN1; 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 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 MAPK1 3311/4885MAPT 2195/4885HTT 693/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MAPK1 3311/4885MAPT 2195/4885HTT 693/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MAPK1 3311/4885MAPT 2195/4885HTT 693/4885

“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.