SCHEMBL4955646

SCHEMBL4955646

Cc1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYTH2 Q99418 1/20 0.64
GAA P10253 5/20 0.62
GFER P55789 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 6/20 0.58
PKM P14618 5/20 0.58
KEAP1 Q14145 2/20 0.56
IL1RN P18510 1/20 0.56
ERAP1 Q9NZ08 1/20 0.56
HTT P42858 4/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL22024970 0.86 CYTH2 (0.56) CYTH2GAAGFERAPOBEC3GMEN1
SCHEMBL30343351 0.86 PKM (0.69) CYTH2GAAGFERAPOBEC3GMEN1
SCHEMBL7577338 0.86 PKM (0.69) CYTH2GAAGFERAPOBEC3GMEN1
SCHEMBL29472171 0.85 MCL1 (0.57) CYTH2GAASMN1; SMN2ALDH1A1KEAP1
SCHEMBL578654 0.85 FFAR4 (0.68) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL14606818 0.82 CYTH2 (0.77) CYTH2GAAMEN1KMT2ALMNA
SCHEMBL18161437 0.82 KEAP1 (0.56) CYTH2GAAKMT2AALDH1A1KEAP1
SCHEMBL10572974 0.82 FFAR4 (0.68) CYTH2GAAGFERAPOBEC3GMEN1
SCHEMBL7572838 0.82 PKM (0.67) CYTH2GAAGFERAPOBEC3GMEN1
SCHEMBL13997280 0.82 CYTH2 (0.71) CYTH2GAAGFERAPOBEC3GMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146548-A1 AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2008-06-19 US claimed
US-20050054691-A1 Carboxylesterase inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2005-03-10 US claimed
WO-2005021721-A2 CARBOXYLESTERASE INHIBITORS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2005-03-10 WO claimed
US-7973034-B2 Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2011-07-05 US disclosed
US-7973034-B2 Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2011-07-05 US disclosed
US-20080146548-A1 AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2008-06-19 US disclosed
US-20080146548-A1 AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2008-06-19 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 (2 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-20050054691-A1 Carboxylesterase inhibitors CES1, CES2, BCHE CYTH2 2354/4885GAA 210/4885GFER 1029/4885
US-20080146548-A1 AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE CES1, BCHE, CES2 CYTH2 3196/4885GAA 180/4885GFER 1004/4885

“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.