SCHEMBL7163348

SCHEMBL7163348

CN(C(=O)c1ccccc1)[C@@H](CC(C)(C)C(=O)O)C(=O)NCC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.49
▸ CTSS P25774 1/20 0.49
▸ MMP13 P45452 10/20 0.44
▸ MMP2 P08253 10/20 0.44
▸ MMP1 P03956 3/20 0.44
▸ ADAMTS4 O75173 2/20 0.44
▸ MMP14 P50281 2/20 0.44
▸ ADAMTS5 Q9UNA0 2/20 0.44
▸ MEP1B Q16820 1/20 0.44
▸ CA2 P00918 6/20 0.40
▸ CA9 Q16790 6/20 0.40
▸ CA12 O43570 5/20 0.39
▸ CA1 P00915 5/20 0.39
▸ MMP9 P14780 2/20 0.38
▸ TARS1 P26639 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38

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
SCHEMBL7248570 0.78 CTSK (0.61) CTSKCTSSMMP13MMP2MMP1
SCHEMBL7163404 0.72 MMP2 (0.62) CTSKCTSSMMP13MMP2MMP1
SCHEMBL7159422 0.71 CTSK (0.56) CTSKCTSSMMP13MMP2MMP1
SCHEMBL7168984 0.71 KAT6A (0.58) CTSKCTSSMMP13MMP2MMP1
SCHEMBL7163658 0.70 CTSK (0.64) CTSKCTSSMMP13MMP2MMP1
SCHEMBL7168737 0.69 CTSK (0.67) CTSKCTSSMMP13MMP2MMP1
SCHEMBL6557782 0.69 MMP2 (0.64) CTSKCTSSMMP13MMP2MMP1
SCHEMBL5899447 0.68 MMP2 (0.70) MMP13MMP2MMP1ADAMTS4MMP14
SCHEMBL7160493 0.68 CTSK (0.62) CTSKCTSSMMP13MMP2MMP1
SCHEMBL8048075 0.68 MMP2 (0.65) CTSKCTSSMMP13MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (1 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 8/4885MMP13 10/4885

“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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