SCHEMBL5934591

SCHEMBL5934591

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C(N)C(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.56
▸ MMP13 P45452 1/20 0.54
▸ CTSK P43235 14/20 0.53
▸ CTSS P25774 6/20 0.53
▸ CA5A P35218 1/20 0.50
▸ CA1 P00915 1/20 0.47
▸ CTSL P07711 3/20 0.46
▸ CTSB P07858 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
SCHEMBL5934721 0.91 CASP1 (0.58) CASP1CTSKCTSSCA5ACA1
SCHEMBL5935008 0.86 MAPT (0.46) CASP1MMP13CTSKCTSSCA5A
SCHEMBL5934588 0.83 CTSK (0.63) CASP1MMP13CTSKCTSSCA5A
SCHEMBL5934909 0.83 CASP1 (0.49) CASP1MMP13CTSKCTSSCA5A
SCHEMBL5935027 0.80 CASP1 (0.47) CASP1CTSKCTSSCA5ACA1
SCHEMBL7164038 0.79 CTSK (0.62) MMP13CTSKCTSSCA5ACA1
SCHEMBL4669753 0.75 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL7240364 0.75 CTSK (0.53) MMP13CTSKCTSSCA5ACA1
SCHEMBL7164561 0.75 CA5A (0.60) CASP1CTSKCTSSCA5ACA1
SCHEMBL568976 0.74 MMP13 (0.59) CASP1MMP13CTSKCTSSCA1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060020001-A1 Use of cathepsin k inhibitors for the treatment of glaucoma ALCON, INC. (CH) 2006-01-26 — — US claimed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 — — US claimed
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 — — US claimed
US-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 — — US claimed
US-20060020001-A1 Use of cathepsin k inhibitors for the treatment of glaucoma ALCON, INC. (CH) 2006-01-26 — — US disclosed
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
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 — — US disclosed
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 — — 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
US-6284777-B1 BONE DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-09-04 — — US disclosed
US-6232342-B1 CATHEPSIN K INHIBITOR FOR TREATING OSTEOPOROSIS, GINGIVITIS, PERIODONTITIS, ARTHRITIS, OSTEOARTHRITIS RHEUMATOID ARTHRITIS, PAGET'S DISEASE, HYPERCALCEMIA OF MALIGNANCY AND METABOLIC BONE DISEASES SMITHKLINE BEECHAM CORPORATION 2001-05-15 — — US disclosed
US-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 — — US disclosed
US-5998470-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 — — US disclosed
EP-0934291-A4 — SMITHKLINE BEECHAM CORP (US) 1999-08-11 — — EP disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 — — EP disclosed
WO-1997016433-A1 PROTEASE INHIBITORS 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 (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-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG CASP1 300/4885MMP13 10/4885CTSK 1/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CASP1 300/4885MMP13 10/4885CTSK 1/4885

“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.

Send feedback