SCHEMBL2564158

SCHEMBL2564158

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
CHRM4 P08173 3/20 0.45
GAA P10253 1/20 0.45
POLB P06746 2/20 0.44
HSD11B1 P28845 1/20 0.43
CNR2 P34972 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
SCHEMBL2567875 0.90 GRM5 (0.40) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL2564687 0.89 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL2570937 0.88 KMT2A (0.48) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL2570759 0.86 POLB (0.54) KMT2ASMN1; SMN2MEN1MAPTNPSR1
SCHEMBL2569880 0.86 POLB (0.42) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL2569525 0.85 KMT2A (0.49) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL2564465 0.82 KDM4E (0.50) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL2568723 0.80 GRM5 (0.46) SMN1; SMN2ALDH1A1LMNAHTTCYP2C9
SCHEMBL2568747 0.80 GRIN1 (0.45) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL2569115 0.80 HTT (0.52) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT

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 KMT2A 1686/4885SMN1; SMN2 45/4885ALDH1A1 1535/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KMT2A 1686/4885SMN1; SMN2 45/4885ALDH1A1 1535/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KMT2A 1686/4885SMN1; SMN2 45/4885ALDH1A1 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.