Sugi Predict

Sugi Predict / Compounds / SCHEMBL6578043

SCHEMBL6578043

SCHEMBL6578043

CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)NC1CN(C(=O)c2ccccc2)CC1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.51
▸ CASP3 P42574 7/20 0.49
▸ CASP1 P29466 6/20 0.49
▸ CASP6 P55212 3/20 0.49
▸ CASP8 Q14790 3/20 0.49
▸ CAPNS1 P04632 1/20 0.44
▸ CAPN1 P07384 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ UTS2R Q9UKP6 1/20 0.43
▸ CASP7 P55210 4/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41

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
SCHEMBL6582052 0.86 SIGMAR1 (0.54) CTSKCASP3CASP1CASP6CASP8
SCHEMBL6577935 0.85 CTSK (0.58) CTSKCASP3CASP1CASP6CASP8
SCHEMBL6577566 0.79 CTSK (0.56) CTSKCASP3CASP1CASP6CASP8
SCHEMBL6583815 0.78 CASP1 (0.62) CTSKCASP3CASP1CASP6CASP8
SCHEMBL6581280 0.76 CTSK (0.61) CTSKCASP3MAPK1
SCHEMBL6578042 0.76 CTSK (0.54) CTSKCASP3CASP1CAPN1UTS2R
SCHEMBL6578167 0.75 SIGMAR1 (0.54) CTSKCASP3CASP1CASP6CASP8
SCHEMBL6584216 0.73 CTSK (0.57) CTSKCASP3CASP1CASP6CASP8
SCHEMBL6577927 0.71 CASP1 (0.59) CTSKCASP3CASP1CASP6CASP8
SCHEMBL6582257 0.70 CASP3 (0.53) CTSKCASP3CASP1CASP6CASP8

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

“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.