SCHEMBL7167212

SCHEMBL7167212

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 16/20 0.69
▸ CTSS P25774 5/20 0.69
▸ CTSL P07711 3/20 0.69
▸ CTSB P07858 1/20 0.69
▸ CAPN1 P07384 1/20 0.60
▸ CAPN2 P17655 1/20 0.60
▸ PSMB1 P20618 1/20 0.57

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
SCHEMBL27575296 0.89 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL27575295 0.89 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7611750 0.88 CTSK (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL13888706 0.83 CTSK (0.79) CTSKCTSSCTSLCTSB
SCHEMBL6945614 0.83 CTSK (0.79) CTSKCTSSCTSLCTSB
SCHEMBL1175268 0.83 CTSK (0.79) CTSKCTSSCTSLCTSB
SCHEMBL5443106 0.83 CAPN1 (0.74) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823885 0.83 CTSK (0.67) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7411658 0.82 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7402633 0.82 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1

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-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

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 8/4885CTSL 14/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSS 8/4885CTSL 14/4885

“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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