SCHEMBL7164038

SCHEMBL7164038

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

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.62
▸ CTSS P25774 7/20 0.62
▸ CA5A P35218 1/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ CTSL P07711 4/20 0.56
▸ CTSB P07858 1/20 0.56
▸ CA1 P00915 1/20 0.53
▸ CAPN1 P07384 1/20 0.50
▸ CAPN2 P17655 1/20 0.50

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
SCHEMBL7816028 0.95 CA5A (0.56) CTSKCTSSCA5AMMP13CTSL
SCHEMBL5934588 0.87 CTSK (0.63) CTSKCTSSCA5AMMP13CTSL
SCHEMBL7165081 0.86 CTSK (0.51) CTSKCTSSCA5ACTSLCTSB
SCHEMBL7240364 0.84 CTSK (0.53) CTSKCTSSCA5AMMP13CTSL
SCHEMBL8823885 0.84 CTSK (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823927 0.83 CTSK (0.65) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7163244 0.83 CTSK (0.46) CTSKCTSSMMP13CTSL
SCHEMBL7610538 0.82 CTSK (0.56) CTSKCTSSCA5ACTSLCTSB
SCHEMBL7167212 0.81 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7244091 0.80 CTSK (0.46) CTSKCTSSMMP13

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 14 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
US-6331542-B1 TREATING DISEASES CHARACTERIZED BY BONE LOSS OR EXCESSIVE CARTILAGE OR MATRIX DEGRADATION SMITHKLINE BEECHAM CORPORATION 2001-12-18 — — US disclosed
EP-0804180-A4 METHOD OF INHIBITING CATHEPSIN K SMITHKLINE BEECHAM CORP (US) 2001-09-05 — — EP 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
CN-1177293-A Method for inhibiting cathepsin K SMITHKLINE BEECHAM CORP (US) 1998-03-25 — — CN 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-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 (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 1/4885CTSS 8/4885CA5A 451/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSS 8/4885CA5A 451/4885

“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.

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