SCHEMBL643982

SCHEMBL643982

COC(=O)C1(NS(=O)(=O)c2ccc(OC)cc2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.55
MMP13 P45452 8/20 0.55
MMP2 P08253 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
ALDH1A1 P00352 4/20 0.47
GFER P55789 1/20 0.46
USP2 O75604 2/20 0.44
HTT P42858 2/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5674362 0.89 USP2 (0.56) MMP1MMP13MMP2CA1CA2
SCHEMBL6964392 0.87 MMP1 (0.56) MMP1MMP13MMP2CA1CA2
SCHEMBL6960331 0.86 MMP1 (0.72) MMP1MMP13MMP2CA1CA2
SCHEMBL7341184 0.86 MMP1 (0.56) MMP1MMP13MMP2CA1CA2
SCHEMBL6962839 0.85 MMP1 (0.74) MMP1MMP13MMP2CA1CA2
SCHEMBL12506359 0.84 MMP13 (0.51) MMP1MMP13MMP2CA1CA2
SCHEMBL27618200 0.84 MMP1 (0.46) MMP1MMP13MMP2CA1CA2
SCHEMBL5678202 0.84 MMP1 (0.50) MMP1MMP13MMP2CA1CA2
SCHEMBL6293732 0.83 MMP2 (0.52) MMP1MMP13MMP2CA1CA2
SCHEMBL6501473 0.82 ADAM17 (0.53) MMP1MMP13MMP2MMP9MMP8

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-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed
EP-0606046-B1 Arylsulfonamido-substituted hydroxamic acids CIBA GEIGY AG (CH) 1997-10-08 EP disclosed
US-5506242-A METALLOELASTASE INHIBITOR; TREATS EMPHYSEMA CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed
US-5455258-A Useful as inhibitors of matrix-degrading metalloproteinase enzymes such as stromelysin and/or collegenase CIBA-GEIGY CORPORATION (US) 1995-10-03 US disclosed
EP-0606046-A1 Arylsulfonamido-substituted hydroxamic acids CIBA-GEIGY AG (CH) 1994-07-13 EP 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 (1 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A MMP1 3578/4885MMP13 2479/4885MMP2 2725/4885

“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.