SCHEMBL2564162

SCHEMBL2564162

COc1cccc(N2CCN(C(=O)COCC3CCCN3S(=O)(=O)c3c(C)cc(OC)cc3C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
LDHA P00338 1/20 0.45
MAPT P10636 1/20 0.44
BDKRB1 P46663 4/20 0.44
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL2570091 0.97 TDP1 (0.48) TDP1LDHAMAPTBDKRB1PKM
SCHEMBL2570800 0.94 MAPT (0.53) LDHAMAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL2566583 0.94 MAPK1 (0.46) MAPTBDKRB1PKMRAB9AMAPK1
SCHEMBL2565023 0.93 TDP1 (0.47) TDP1LDHAMAPTPKMSMN1; SMN2
SCHEMBL2566199 0.93 BDKRB1 (0.46) BDKRB1ALDH1A1LMNA
SCHEMBL2569135 0.92 MAPT (0.52) TDP1LDHAMAPTRAB9ASMN1; SMN2
SCHEMBL2568476 0.92 ALDH1A1 (0.45) BDKRB1ALDH1A1LMNA
SCHEMBL2563806 0.91 MAPK1 (0.46) MAPTBDKRB1MAPK1GFERALDH1A1
SCHEMBL2563986 0.91 TSHR (0.56) MAPTSMN1; SMN2TSHRLMNA
SCHEMBL2560583 0.91 BDKRB1 (0.45) BDKRB1

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 12 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
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO 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 TDP1 3676/4885LDHA 1699/4885MAPT 2195/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TDP1 3676/4885LDHA 1699/4885MAPT 2195/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 TDP1 3676/4885LDHA 1699/4885MAPT 2195/4885

“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.