SCHEMBL2568639

SCHEMBL2568639

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)Nc2ccc(N3CCOCC3)nc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
DGAT1 O75907 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 5/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CSF1R P07333 1/20 0.39
DAPK1 P53355 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL2572091 0.90 MAPT (0.51) KDM4EGAAMAPTALDH1A1POLB
SCHEMBL2568313 0.85 ALDH1A1 (0.43) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2569313 0.85 MAPT (0.51) KDM4EGAAMAPTALDH1A1NPC1
SCHEMBL2568344 0.84 MAPT (0.56) KDM4ECYP1A2MAPTCYP2C19ALDH1A1
SCHEMBL2571967 0.83 ALDH1A1 (0.43) KDM4EGAACYP1A2MAPTCYP2C19
SCHEMBL2565831 0.81 POLB (0.46) GAAMAPTALDH1A1RAB9APOLB
SCHEMBL2568171 0.80 GAA (0.51) KDM4EGAAMAPTALDH1A1NPC1
SCHEMBL2570915 0.80 MAPT (0.45) KDM4EGAAMAPTALDH1A1NPC1
SCHEMBL2564364 0.79 CYP3A4 (0.45) KDM4EGAAMAPTALDH1A1NPC1
SCHEMBL2568309 0.79 MAPT (0.47) KDM4EMAPTALDH1A1NPC1RAB9A

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 WNT3A 4646/4885KDM4E 3171/4885GAA 234/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 WNT3A 4646/4885KDM4E 3171/4885GAA 234/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 WNT3A 4646/4885KDM4E 3171/4885GAA 234/4885

“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.