Sugi Predict

Sugi Predict / Compounds / SCHEMBL2380436

SCHEMBL2380436

SCHEMBL2380436

[CH2]S(=O)(=O)Cc1cc(C)cc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.35
▸ PGK2 P07205 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ CA1 P00915 4/20 0.34
▸ CA2 P00918 4/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA6 P23280 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA13 Q8N1Q1 2/20 0.33

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
SCHEMBL2377389 0.79 KMT2A (0.48) ALDH1A1
SCHEMBL2380439 0.78 ALDH1A1 (0.39) PGK1PGK2NR3C1PGRNR3C2
SCHEMBL515054 0.76 KMT2A (0.48) CA1CA2CA9CA12CA6
SCHEMBL8350393 0.76 PGK1 (0.35) PGK1PGK2NR3C1PGRNR3C2
SCHEMBL4878731 0.76 CA1 (0.48) PGK1PGK2NR3C1PGRNR3C2
SCHEMBL14378208 0.76 NR3C1 (0.39) PGK1PGK2NR3C1PGRNR3C2
SCHEMBL19306408 0.76 PGK1 (0.40) PGK1PGK2NR3C1PGRNR3C2
SCHEMBL23126453 0.75 NR3C1 (0.37) PGK1PGK2NR3C1PGRNR3C2
SCHEMBL30876382 0.74 FFAR4 (0.35) PGK1PGK2NR3C1PGRNR3C2
SCHEMBL28629801 0.74 PGK1 (0.39) PGK1PGK2NR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 — — EP claimed
US-8013186-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 — — US 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-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors VIROBAY, INC. (US) 2009-01-22 — — 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
EP-1817275-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2007-08-15 — — EP 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
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 — — WO 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
CN-1512880-A Novel compounds and compositions as cathepsin inhibitors AXYSҩ�﹫˾ 2004-07-14 — — CN 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 (5 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE PGK1 3432/4885PGK2 3693/4885NR3C1 4595/4885
US-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE PGK1 2395/4885PGK2 2491/4885NR3C1 4864/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV PGK1 3459/4885PGK2 3679/4885NR3C1 1160/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE PGK1 3432/4885PGK2 3693/4885NR3C1 4595/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE PGK1 2395/4885PGK2 2491/4885NR3C1 4864/4885

“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.