SCHEMBL2564531

SCHEMBL2564531

COc1ccc(CN2CCN(C(=O)COCC3CCCN3S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
PKM P14618 2/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 3/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 3/20 0.43
CASP3 P42574 2/20 0.42
CASP7 P55210 2/20 0.42
TSHR P16473 1/20 0.42
FAAH O00519 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
SCHEMBL2563588 0.91 L3MBTL1 (0.46) SMN1; SMN2ALDH1A1KDM4ELMNAUSP2
SCHEMBL2569878 0.91 LMNA (0.44) SMN1; SMN2POLBPKMALDH1A1KDM4E
SCHEMBL2563798 0.90 ALDH1A1 (0.44) SMN1; SMN2POLBALDH1A1KDM4ELMNA
SCHEMBL2566145 0.89 MAPK1 (0.48) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL2567631 0.89 SMN1; SMN2 (0.42) SMN1; SMN2POLBALDH1A1KDM4ELMNA
SCHEMBL2568784 0.89 L3MBTL1 (0.45) SMN1; SMN2ALDH1A1KDM4ELMNAUSP2
SCHEMBL2565189 0.89 LMNA (0.43) SMN1; SMN2POLBALDH1A1KDM4ELMNA
SCHEMBL2564519 0.88 ALDH1A1 (0.50) SMN1; SMN2POLBALDH1A1LMNAUSP2
SCHEMBL2568311 0.87 ALDH1A1 (0.43) SMN1; SMN2POLBALDH1A1KDM4ELMNA
SCHEMBL2568276 0.86 MAPK1 (0.47) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 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 SMN1; SMN2 45/4885POLB 2852/4885PKM 1904/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 SMN1; SMN2 45/4885POLB 2852/4885PKM 1904/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 SMN1; SMN2 45/4885POLB 2852/4885PKM 1904/4885

“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.