SCHEMBL2567089

SCHEMBL2567089

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(c3cccnc3)C2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
BDKRB1 P46663 4/20 0.40
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CASP3 P42574 4/20 0.39
CASP7 P55210 4/20 0.39
F10 P00742 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP1 P29466 1/20 0.38
CASP6 P55212 1/20 0.38
SPR P35270 1/20 0.38
NAMPT P43490 1/20 0.38
PKM P14618 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
SCHEMBL2567202 0.98 LMNA (0.41) MAPTBDKRB1RAB9AKMT2ANPC1
SCHEMBL2567098 0.96 MAPT (0.44) MAPTBDKRB1KMT2ALMNAALDH1A1
SCHEMBL2571181 0.91 BDKRB1 (0.42) MAPTBDKRB1RAB9AKMT2ANPC1
SCHEMBL2566323 0.91 MAPT (0.41) MAPTBDKRB1KMT2ALMNAALDH1A1
SCHEMBL2566140 0.89 BDKRB1 (0.43) MAPTBDKRB1RAB9AKMT2ANPC1
SCHEMBL2567401 0.88 NAMPT (0.42) MAPTBDKRB1KMT2ALMNACASP3
SCHEMBL2568979 0.87 BDKRB1 (0.45) BDKRB1LMNA
SCHEMBL2568862 0.86 ALDH1A1 (0.42) MAPTBDKRB1RAB9AKMT2AALDH1A1
SCHEMBL2567343 0.85 BDKRB1 (0.41) MAPTBDKRB1RAB9AKMT2ANPC1
SCHEMBL2560431 0.85 SPR (0.51) ALDH1A1CASP3CASP7F10POLB

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 MAPT 2195/4885BDKRB1 2368/4885RAB9A 2794/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MAPT 2195/4885BDKRB1 2368/4885RAB9A 2794/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MAPT 2195/4885BDKRB1 2368/4885RAB9A 2794/4885

“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.