SCHEMBL2570095

SCHEMBL2570095

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 6/20 0.48
ALDH1A1 P00352 5/20 0.46
GRM5 P41594 2/20 0.46
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL2563994 0.88 LMNA (0.49) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL2564756 0.87 ALDH1A1 (0.43) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL2569115 0.87 HTT (0.52) MEN1KMT2ALMNAALDH1A1GRM5
SCHEMBL2565346 0.84 LMNA (0.50) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL2564465 0.84 KDM4E (0.50) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL2568723 0.83 GRM5 (0.46) TSHRLMNAALDH1A1GRM5HTT
SCHEMBL2568747 0.83 GRIN1 (0.45) LMNAALDH1A1GRM5HTTSMN1; SMN2
SCHEMBL2564519 0.83 ALDH1A1 (0.50) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL2569880 0.83 POLB (0.42) LMNAALDH1A1GRM5HTTSMN1; SMN2
SCHEMBL2568748 0.83 PSEN1 (0.43) MEN1KMT2ALMNAALDH1A1HTT

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 MEN1 4354/4885KMT2A 1686/4885TSHR 2684/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MEN1 4354/4885KMT2A 1686/4885TSHR 2684/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MEN1 4354/4885KMT2A 1686/4885TSHR 2684/4885

“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.