SCHEMBL3802057

SCHEMBL3802057

NC(=O)COCC1CCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.50
RAB9A P51151 2/20 0.49
CASP3 P42574 2/20 0.46
FKBP1A P62942 1/20 0.46
CASP1 P29466 1/20 0.45
CASP2 P42575 1/20 0.45
CASP4 P49662 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45

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
SCHEMBL4129930 0.82 MMP1 (0.56) RAB9AFKBP1A
SCHEMBL791701 0.80 CASP3 (0.59) RAB9ACASP3CASP7CASP9
SCHEMBL5087589 0.79 RAB9A (0.55) RAB9ACASP3CASP7
SCHEMBL17600734 0.78 BRD4 (0.56) LOXRAB9AFKBP1A
SCHEMBL17600737 0.78 BRD4 (0.56) LOXRAB9AFKBP1A
SCHEMBL2569069 0.77 FKBP1A (0.48) CASP3FKBP1ACASP1CASP7CASP6
SCHEMBL5093730 0.77 PSEN1 (0.62) CASP3FKBP1ACASP7
SCHEMBL2563852 0.76 HTR7 (0.53) LOXRAB9ACASP3FKBP1ACASP1
SCHEMBL17833176 0.76 MMP2 (0.59) RAB9AFKBP1A
SCHEMBL695071 0.76 MMP2 (0.59) RAB9AFKBP1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 LOX 3542/4885RAB9A 2794/4885CASP3 2157/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 LOX 3542/4885RAB9A 2794/4885CASP3 2157/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 LOX 3542/4885RAB9A 2794/4885CASP3 2157/4885

“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.