SCHEMBL2567208

SCHEMBL2567208

COc1cc(OC)cc(N2CCN(C(=O)COCC3CCCCN3S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.42
CPT2 P23786 2/20 0.42
CPT1A P50416 2/20 0.42
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
ACLY P53396 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BDKRB1 P46663 1/20 0.38
FKBP1A P62942 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL2568688 0.92 NPSR1 (0.53) HTTNPSR1MAPTALDH1A1PKM
SCHEMBL2560583 0.89 BDKRB1 (0.45) BDKRB1
SCHEMBL2563952 0.87 TDP1 (0.48) HTTNPSR1MAPTCPT2CPT1A
SCHEMBL2568276 0.86 MAPK1 (0.47) HTTNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL2566199 0.86 BDKRB1 (0.46) ALDH1A1LMNABDKRB1
SCHEMBL2565946 0.86 CNR1 (0.42) HTTNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL2570637 0.85 GRIN1 (0.46) HTTNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL2569135 0.85 MAPT (0.52) HTTNPSR1MAPTCPT2CPT1A
SCHEMBL2567394 0.85 MAPT (0.48) HTTNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL2566147 0.84 GRM5 (0.48) ALDH1A1LMNAUSP2GAAGRM5

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 HTT 693/4885NPSR1 70/4885MAPT 2195/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HTT 693/4885NPSR1 70/4885MAPT 2195/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 HTT 693/4885NPSR1 70/4885MAPT 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.