SCHEMBL2572157

SCHEMBL2572157

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N(Cc1ccccc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2569104 0.80 CHRM5 (0.40) GAAALDH1A1OPRM1
SCHEMBL2567483 0.79 ALDH1A1 (0.45) ALDH1A1KMT2A
SCHEMBL5132594 0.79 ATM (0.46) TDP1
SCHEMBL2566939 0.78 GAA (0.39) SMN1; SMN2GAANPSR1HTTOPRM1
SCHEMBL2568665 0.77 RAB9A (0.37) SMN1; SMN2GAA
SCHEMBL2568201 0.76 LOX (0.36) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2564465 0.76 KDM4E (0.50) SMN1; SMN2LMNACYP3A4CYP2C9GAA
SCHEMBL2567955 0.76 CCR4 (0.43) MEN1KMT2A
SCHEMBL3775698 0.76 CCR4 (0.43) MEN1KMT2A
SCHEMBL5122263 0.76 ATM (0.44) TDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SMN1; SMN2 45/4885LMNA 2964/4885CYP1A2 705/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 SMN1; SMN2 45/4885LMNA 2964/4885CYP1A2 705/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 SMN1; SMN2 45/4885LMNA 2964/4885CYP1A2 705/4885

“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.