Sugi Predict

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SCHEMBL6580235

SCHEMBL6580235

Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)CN2CC(O)C(NC(=O)[C@H](CC(C)C)NC(=O)Cc3ccccc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 6/20 0.46
▸ CASP1 P29466 5/20 0.46
▸ CTSK P43235 4/20 0.45
▸ CASP6 P55212 4/20 0.41
▸ CASP8 Q14790 4/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CTSL P07711 2/20 0.41
▸ CASP7 P55210 3/20 0.40
▸ PSEN1 P49768 2/20 0.40
▸ PSEN2 P49810 2/20 0.40
▸ APH1B Q8WW43 2/20 0.40
▸ NCSTN Q92542 2/20 0.40
▸ APH1A Q96BI3 2/20 0.40
▸ PSENEN Q9NZ42 2/20 0.40
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ AIMP2 Q13155 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL6580466 0.85 CTSK (0.55) CASP3CASP1CTSKCA1CA2
SCHEMBL6582333 0.83 PSMB8 (0.41) CTSKCA1CA2CTSLCA4
SCHEMBL6582257 0.81 CASP3 (0.53) CASP3CASP1CTSKCASP6CASP8
SCHEMBL6577842 0.81 CTSK (0.65) CASP3CASP1CTSKCTSL
SCHEMBL6579878 0.79 CTSK (0.49) CASP3CASP1CTSKCASP6CASP8
SCHEMBL6580642 0.78 CAPN1 (0.37) CASP3CASP1CTSKCA1CA2
SCHEMBL6580216 0.77 CTSK (0.50) CTSKCTSL
SCHEMBL6580277 0.76 ALDH1A1 (0.45) CASP3CASP1CTSKCASP6CASP8
SCHEMBL6581038 0.74 CTSK (0.73) CTSKCTSL
SCHEMBL6580271 0.74 CTSK (0.66) CTSKCTSL

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-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 — — US claimed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 — — EP claimed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 — — US claimed
EP-0936912-A4 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 1999-10-13 — — EP claimed
EP-0936912-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-08-25 — — EP claimed
WO-1998005336-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 — — WO claimed
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 — — US disclosed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 — — EP disclosed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 — — 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-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS CASP3 590/4885CASP1 131/4885CTSK 1/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CASP3 171/4885CASP1 144/4885CTSK 100/4885

“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.