SCHEMBL383659

SCHEMBL383659

[CH2]CS(=O)(=O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
CA1 P00915 2/20 0.54
PRSS1 P07477 2/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
FAAH O00519 1/20 0.54
ELANE P08246 1/20 0.54
PRTN3 P24158 1/20 0.54
CA5A P35218 1/20 0.54
CA9 Q16790 1/20 0.54
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
KMT2A Q03164 4/20 0.47
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
F2 P00734 1/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL88641 0.85 CA2 (0.64) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL11221525 0.82 POLB (0.46) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL28332352 0.82 CA2 (0.61) CA2CA1PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL11574583 0.82 CA2 (0.61) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL7025371 0.82 CA2 (0.50) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL15136811 0.80 CA2 (0.58) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL776398 0.78 CA1 (0.56) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL27711602 0.77 USP2 (0.43) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL23497326 0.76 CA2 (0.60) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL6496077 0.76 CA2 (0.60) CA2CA1PRSS1PRSS2PRSS3

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 201 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 EP claimed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US claimed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 US claimed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US claimed
JP-2007505920-A 2007-03-15 JP claimed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US claimed
JP-2006526657-A 2006-11-24 JP claimed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO claimed
US-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives MERCK SERONO SA (CH) 2004-11-04 US claimed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 EP claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP claimed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives OXTR, PRLHR, PGF CA2 4219/4885CA1 4729/4885PRSS1 3780/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CA2 187/4885CA1 309/4885PRSS1 27/4885
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CA2 187/4885CA1 309/4885PRSS1 27/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CA2 1562/4885CA1 2374/4885PRSS1 52/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CA2 187/4885CA1 309/4885PRSS1 27/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE CA2 356/4885CA1 950/4885PRSS1 32/4885

“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.