Sugi Predict

Sugi Predict / Compounds / SCHEMBL6580315

SCHEMBL6580315

SCHEMBL6580315

CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 2/20 0.54
▸ CTSK P43235 6/20 0.51
▸ CTSB P07858 3/20 0.51
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 2/20 0.51
▸ CCR1 P32246 1/20 0.47
▸ HDAC1 Q13547 2/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ GRN P28799 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL6580430 0.86 UTS2R (0.57) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL6580045 0.86 CTSK (0.54) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL6580336 0.85 CASP1 (0.51) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL6580228 0.84 CTSK (0.54) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL6577775 0.83 UTS2R (0.63) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL7402846 0.80 UTS2R (0.77) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL7407978 0.80 UTS2R (0.77) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL7411023 0.80 UTS2R (0.77) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL7410878 0.79 UTS2R (0.69) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL6580231 0.79 CTSK (0.65) UTS2RCTSKCTSBCTSLCTSS

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 UTS2R 1950/4885CTSK 1/4885CTSB 5/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL UTS2R 972/4885CTSK 100/4885CTSB 60/4885

“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.