SCHEMBL2569115

SCHEMBL2569115

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.48
GRM5 P41594 2/20 0.48
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
POLB P06746 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.43
HTR7 P34969 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2569880 0.91 POLB (0.42) HTTALDH1A1GRM5SMN1; SMN2GAA
SCHEMBL2568276 0.90 MAPK1 (0.47) HTTALDH1A1TP53SMN1; SMN2MAPT
SCHEMBL2568747 0.90 GRIN1 (0.45) HTTALDH1A1GRM5SMN1; SMN2GAA
SCHEMBL2568723 0.90 GRM5 (0.46) HTTALDH1A1GRM5SMN1; SMN2GAA
SCHEMBL2569346 0.87 ALDH1A1 (0.44) HTTALDH1A1GRM5SMN1; SMN2GAA
SCHEMBL2570095 0.87 MEN1 (0.52) HTTALDH1A1GRM5TP53SMN1; SMN2
SCHEMBL2566145 0.87 MAPK1 (0.48) HTTALDH1A1TP53SMN1; SMN2MAPT
SCHEMBL2568593 0.87 GRIN1 (0.46) HTTALDH1A1GRM5SMN1; SMN2GAA
SCHEMBL2569471 0.86 SMN1; SMN2 (0.48) HTTALDH1A1GRM5TP53SMN1; SMN2
SCHEMBL2570759 0.86 POLB (0.54) HTTTP53SMN1; SMN2POLBMAPT

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 HTT 693/4885ALDH1A1 1535/4885GRM5 1968/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HTT 693/4885ALDH1A1 1535/4885GRM5 1968/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 HTT 693/4885ALDH1A1 1535/4885GRM5 1968/4885

“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.