SCHEMBL6986914

SCHEMBL6986914

CCOC(=O)c1csc([C@H](CC(C)C)NC(=O)OCc2ccccc2)n1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.72
CTSL P07711 1/20 0.72
CTSB P07858 1/20 0.72
HDAC6 Q9UBN7 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTPRB P23467 2/20 0.51
AAK1 Q2M2I8 5/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
ABCB1 P08183 1/20 0.47
CCR3 P51677 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL6988279 1.00 CTSK (0.72) CTSKCTSLCTSBHDAC6NPC1
SCHEMBL6683037 0.93 CTSK (0.76) CTSKCTSLCTSBHDAC6PTPRB
SCHEMBL5934960 0.93 CTSK (0.76) CTSKCTSLCTSBHDAC6PTPRB
SCHEMBL5935121 0.92 CTSK (0.75) CTSKCTSLCTSBHDAC6PTPRB
SCHEMBL6987536 0.91 CTSK (0.75) CTSKCTSLCTSBHDAC6AAK1
SCHEMBL6981246 0.91 CTSK (0.75) CTSKCTSLCTSBHDAC6AAK1
SCHEMBL7165396 0.88 CTSK (0.78) CTSKCTSLCTSBHDAC6AAK1
SCHEMBL32667923 0.87 ABCB1 (0.63) CTSKCTSLCTSBHDAC6NPC1
SCHEMBL7175292 0.86 CTSK (0.81) CTSKCTSLCTSBHDAC6AAK1
SCHEMBL5934624 0.85 CTSK (0.66) CTSKCTSLCTSBHDAC6PTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975612-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP claimed
EP-0975612-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-02 EP claimed
WO-1998046582-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-22 WO claimed
US-6586466-B2 Enzyme inhibitor for use in the treatment of bone, oral, arthritic, paget's and hypercalcemic diseases SMITHKLINE BEECHAM CORPORATION 2003-07-01 US disclosed
US-6562842-B2 Osteoporosis, oral diseases SMITHKLINE BEECHAM CORPORATION 2003-05-13 US disclosed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 US disclosed
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 US disclosed
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 US disclosed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 US disclosed
US-6331542-B1 TREATING DISEASES CHARACTERIZED BY BONE LOSS OR EXCESSIVE CARTILAGE OR MATRIX DEGRADATION SMITHKLINE BEECHAM CORPORATION 2001-12-18 US disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
US-5998470-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 US disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 WO disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP disclosed
EP-0804180-A1 METHOD OF INHIBITING CATHEPSIN K SMITHKLINE BEECHAM CORPORATION (US) 1997-11-05 EP disclosed
WO-1997016177-A9 METHOD OF INHIBITING CATHEPSIN K 1997-07-24 WO disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 WO disclosed
WO-1997016177-A1 METHOD OF INHIBITING CATHEPSIN K SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 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 (4 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-20020049316-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSL 10/4885CTSB 4/4885
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily PEPD, PREP, CPN1 CTSK 64/4885CTSL 22/4885CTSB 35/4885
US-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSL 14/4885CTSB 4/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSL 14/4885CTSB 4/4885

“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.