SCHEMBL3768441

SCHEMBL3768441

COc1cc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2COCC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.38
MAPT P10636 5/20 0.38
MMP8 P22894 5/20 0.37
MMP3 P08254 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
NR1D1 P20393 3/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
BDKRB1 P46663 1/20 0.35

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
SCHEMBL3768447 1.00 TAS2R14 (0.38) TAS2R14MAPTMMP8MMP3SMN1; SMN2
SCHEMBL3763639 0.89 TAS2R14 (0.42) TAS2R14MAPTMMP8MMP3SMN1; SMN2
SCHEMBL2572135 0.89 TAS2R14 (0.42) TAS2R14MAPTMMP8MMP3SMN1; SMN2
SCHEMBL2202849 0.85 TSHR (0.41) BDKRB1
SCHEMBL2202846 0.85 TSHR (0.41) BDKRB1
SCHEMBL3774338 0.81 CCKBR (0.41)
SCHEMBL4292766 0.81 CCKBR (0.41)
SCHEMBL3768537 0.81 TAS2R14 (0.42) TAS2R14MAPTMMP8MMP3SMN1; SMN2
SCHEMBL2563903 0.81 TAS2R14 (0.42) TAS2R14MAPTMMP8MMP3SMN1; SMN2
SCHEMBL3441427 0.81 CASP3 (0.43) RAB9ABDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US 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-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 WO 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 (4 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 TAS2R14 463/4885MAPT 2195/4885MMP8 2055/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TAS2R14 463/4885MAPT 2195/4885MMP8 2055/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 TAS2R14 463/4885MAPT 2195/4885MMP8 2055/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 TAS2R14 413/4885MAPT 2073/4885MMP8 904/4885

“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.