Sugi Predict

Sugi Predict / Compounds / SCHEMBL6580336

SCHEMBL6580336

SCHEMBL6580336

CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ CTSK P43235 6/20 0.49
▸ BCHE P06276 3/20 0.48
▸ ACHE P22303 3/20 0.47
▸ CCR1 P32246 1/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ SLC6A12 P48065 1/20 0.46
▸ SLC6A13 Q9NSD5 1/20 0.46
▸ CAPN1 P07384 1/20 0.44
▸ UTS2R Q9UKP6 1/20 0.43
▸ CTSB P07858 3/20 0.43
▸ CTSL P07711 2/20 0.42
▸ CTSS P25774 1/20 0.42

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
SCHEMBL6579953 0.86 CTSK (0.59) CASP1CASP3CTSKCTSBCTSL
SCHEMBL6578205 0.86 CASP1 (0.61) CASP1CASP3CTSKBCHECCR1
SCHEMBL6580315 0.85 UTS2R (0.54) CTSKCCR1UTS2RCTSBCTSL
SCHEMBL6580722 0.84 CTSK (0.53) CASP1CASP3CTSKBCHEACHE
SCHEMBL6581051 0.82 CASP1 (0.59) CASP1CASP3CTSKBCHEDRD4
SCHEMBL6577962 0.80 CASP1 (0.54) CASP1CASP3CTSKBCHEACHE
SCHEMBL7407746 0.79 UTS2R (0.64) CTSKDRD4SLC6A12SLC6A13UTS2R
SCHEMBL7412384 0.79 UTS2R (0.64) CTSKDRD4SLC6A12SLC6A13UTS2R
SCHEMBL7412018 0.79 UTS2R (0.64) CTSKDRD4SLC6A12SLC6A13UTS2R
SCHEMBL7407953 0.79 DRD4 (0.70) CTSKDRD4SLC6A12SLC6A13UTS2R

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 CASP1 131/4885CASP3 590/4885CTSK 1/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CASP1 144/4885CASP3 171/4885CTSK 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.