SCHEMBL2563952

SCHEMBL2563952

COc1cccc(N2CCN(C(=O)COCC3CCCCN3S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
CPT2 P23786 1/20 0.44
CPT1A P50416 1/20 0.44
LDHA P00338 1/20 0.43
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
CTSK P43235 1/20 0.42
GRM5 P41594 1/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL2567394 0.97 MAPT (0.48) TDP1MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL2568276 0.92 MAPK1 (0.47) MAPTALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2570091 0.90 TDP1 (0.48) TDP1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2566145 0.90 MAPK1 (0.48) MAPTALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2564967 0.90 LMNA (0.47) TDP1MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL2565023 0.89 TDP1 (0.47) TDP1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2568747 0.89 GRIN1 (0.45) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2568731 0.89 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2569346 0.88 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2569135 0.88 MAPT (0.52) TDP1MAPTALDH1A1SMN1; SMN2GAA

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 TDP1 3676/4885MAPT 2195/4885ALDH1A1 1535/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TDP1 3676/4885MAPT 2195/4885ALDH1A1 1535/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 TDP1 3676/4885MAPT 2195/4885ALDH1A1 1535/4885

“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.