SCHEMBL7168553

SCHEMBL7168553

CC(=O)N(c1ccncc1)[C@@H](CC(C)C)C(=O)NCC(O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.42
▸ TARS1 P26639 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ MMP13 P45452 7/20 0.41
▸ MMP2 P08253 7/20 0.41
▸ CA2 P00918 4/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ MMP1 P03956 4/20 0.39
▸ ADAMTS4 O75173 3/20 0.38
▸ MMP14 P50281 2/20 0.38
▸ ADAMTS5 Q9UNA0 2/20 0.38
▸ MEP1B Q16820 1/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP3 P08254 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
SCHEMBL7344886 0.95 TARS1 (0.42) CTSKTARS1CTSSHSP90AA1HSP90AB1
SCHEMBL7241035 0.88 HSP90AA1 (0.43) CTSKTARS1CTSSHSP90AA1HSP90AB1
SCHEMBL7159422 0.87 CTSK (0.56) CTSKTARS1CTSSMMP13MMP2
SCHEMBL7338790 0.87 CTSK (0.47) CTSKTARS1CTSSHSP90AA1HSP90AB1
SCHEMBL7163244 0.79 CTSK (0.46) CTSKTARS1CTSSHSP90AA1HSP90AB1
SCHEMBL7163920 0.78 TARS1 (0.54) CTSKTARS1CTSSHSP90AA1HSP90AB1
SCHEMBL7244091 0.73 CTSK (0.46) CTSKTARS1CTSSHSP90AA1HSP90AB1
SCHEMBL7164038 0.72 CTSK (0.62) CTSKCTSSMMP13CA1
SCHEMBL7616420 0.70 CTSK (0.44) CTSKCTSSMMP2CA2CA9
SCHEMBL2842136 0.69 MMP1 (0.52) TARS1MMP13MMP2CA2CA9

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-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-1997016177-A9 METHOD OF INHIBITING CATHEPSIN K — 1997-07-24 — — WO 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 1/4885TARS1 3880/4885CTSS 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.

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