SCHEMBL2572091

SCHEMBL2572091

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.51
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46
USP2 O75604 3/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
NR4A1 P22736 1/20 0.46
MCL1 Q07820 1/20 0.46
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2569313 0.95 MAPT (0.51) MAPTALDH1A1MAPK1GAAUSP2
SCHEMBL2568313 0.92 ALDH1A1 (0.43) MAPTALDH1A1MAPK1LMNAKMT2A
SCHEMBL2570915 0.90 MAPT (0.45) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL2568639 0.90 WNT3A (0.43) MAPTALDH1A1MAPK1GAAUSP2
SCHEMBL2565831 0.89 POLB (0.46) MAPTALDH1A1GAAPOLB
SCHEMBL2568344 0.88 MAPT (0.56) MAPTALDH1A1MAPK1LMNAUSP2
SCHEMBL2565909 0.87 POLB (0.47) MAPTALDH1A1GAAKDM4EPOLB
SCHEMBL2568309 0.86 MAPT (0.47) MAPTALDH1A1MAPK1USP2KMT2A
SCHEMBL2564993 0.85 MEN1 (0.41) MAPTALDH1A1GAAKMT2AKDM4E
SCHEMBL2568171 0.85 GAA (0.51) MAPTALDH1A1MAPK1GAALMNA

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 MAPT 2195/4885ALDH1A1 1535/4885MAPK1 3311/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MAPT 2195/4885ALDH1A1 1535/4885MAPK1 3311/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MAPT 2195/4885ALDH1A1 1535/4885MAPK1 3311/4885

“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.