SCHEMBL7181854

SCHEMBL7181854

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.70
CTSL P07711 5/20 0.70
CTSS P25774 4/20 0.70
CTSB P07858 3/20 0.70
CAPN1 P07384 1/20 0.54
CAPN2 P17655 1/20 0.54

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
SCHEMBL7160782 0.87 CTSK (0.63) CTSKCTSLCTSSCTSB
SCHEMBL27511368 0.87 CTSK (0.63) CTSKCTSLCTSSCTSB
SCHEMBL16847835 0.86 CTSK (0.69) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL11302585 0.86 CTSK (0.62) CTSKCTSLCTSSCTSB
SCHEMBL6183072 0.84 CTSK (0.80) CTSKCTSLCTSSCTSB
SCHEMBL608854 0.84 CTSK (0.72) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL6943810 0.84 CTSK (0.72) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL3383041 0.84 CTSK (0.72) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL1823902 0.84 CTSK (0.76) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL16272916 0.84 CTSK (0.76) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1341592-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341590-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341593-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN 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-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP disclosed
CN-1207095-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-02-03 CN 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 CTSK 1/4885CTSL 14/4885CTSS 8/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSL 14/4885CTSS 8/4885

“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.