SCHEMBL2569191

SCHEMBL2569191

Cc1cc(C)nc(CC2CCCCN2C(=O)COCC2Cc3ccccc3CN2S(=O)(=O)c2c(C)cc(C)cc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CPT1A P50416 4/20 0.33
CPT2 P23786 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NR1D1 P20393 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2567150 0.84 HTR6 (0.34) EPHX2ALDH1A1CPT1ACPT2SMN1; SMN2
SCHEMBL2567373 0.80 RORC (0.36) ALDH1A1KDM4EHPGDTSHRNPSR1
SCHEMBL2569764 0.79 KMT2A (0.44) ALDH1A1KDM4EHPGDCPT1ACPT2
SCHEMBL2569132 0.78 HCRTR1 (0.47) ALDH1A1KDM4EHPGDTSHRNPSR1
SCHEMBL5127128 0.77 EPHX2 (0.43) EPHX2POLBMAPTHTTNR1D1
SCHEMBL2568545 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDCPT1ACPT2
SCHEMBL2568613 0.75 MAPT (0.35) EPHX2ALDH1A1KDM4EHPGDTSHR
SCHEMBL2564167 0.74 BDKRB1 (0.48) EPHX2ALDH1A1KDM4ENPSR1MAPT
SCHEMBL2570013 0.74 BDKRB1 (0.48) EPHX2POLBKDM4ENPSR1SMN1; SMN2
SCHEMBL2564067 0.73 MEN1 (0.40) ALDH1A1KDM4ENPSR1NPC1RAB9A

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 EPHX2 2401/4885POLB 2852/4885ALDH1A1 1535/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 EPHX2 2401/4885POLB 2852/4885ALDH1A1 1535/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 EPHX2 2401/4885POLB 2852/4885ALDH1A1 1535/4885

“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.