SCHEMBL2566833

SCHEMBL2566833

O=C(COCC1CCCN1S(=O)(=O)c1cc(Cl)sc1Cl)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 4/20 0.41
THRB P10828 1/20 0.41
ACHE P22303 1/20 0.40
LOX P28300 1/20 0.40
ATM Q13315 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 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
SCHEMBL5129015 0.87 LOX (0.38) ALDH1A1LOXCYP2D6CASP3CASP2
SCHEMBL5129420 0.85 CHRM4 (0.37) ALDH1A1LOXCASP3CASP2CASP7
SCHEMBL5128726 0.83 PKM (0.36) ALDH1A1LOXKMT2AMEN1CASP3
SCHEMBL5123847 0.82 PKM (0.45) ALDH1A1LOXCASP3CASP7
SCHEMBL2565014 0.82 LMNA (0.46) ALDH1A1LMNASMN1; SMN2USP2POLB
SCHEMBL2564519 0.81 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2USP2POLB
SCHEMBL5129941 0.80 PKM (0.47) ALDH1A1LOXKMT2AMEN1CASP3
SCHEMBL5132580 0.80 EPHX2 (0.35) LOX
SCHEMBL5129027 0.79 CCR1 (0.39) KMT2AMEN1CASP3CASP7
SCHEMBL2568968 0.79 BDKRB1 (0.46) ALDH1A1LMNASMN1; SMN2USP2CYP2D6

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-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 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 ALDH1A1 1535/4885LMNA 2964/4885SMN1; SMN2 45/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885LMNA 2964/4885SMN1; SMN2 45/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885LMNA 2964/4885SMN1; SMN2 45/4885

“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.