SCHEMBL7163244

SCHEMBL7163244

CC(C)C[C@H](NC(=O)Cc1ccncc1)C(=O)NCC(O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.46
▸ CTSS P25774 3/20 0.46
▸ MMP13 P45452 5/20 0.43
▸ TARS1 P26639 1/20 0.43
▸ CTSL P07711 2/20 0.42
▸ MMP1 P03956 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MMP2 P08253 3/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ADAMTS4 O75173 2/20 0.41
▸ MMP14 P50281 2/20 0.41
▸ ADAMTS5 Q9UNA0 2/20 0.41
▸ MEP1B Q16820 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41

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
SCHEMBL7244091 0.87 CTSK (0.46) CTSKCTSSMMP13TARS1MMP1
SCHEMBL7338790 0.86 CTSK (0.47) CTSKCTSSMMP13TARS1CTSL
SCHEMBL7164038 0.83 CTSK (0.62) CTSKCTSSMMP13CTSL
SCHEMBL7168553 0.79 CTSK (0.42) CTSKCTSSMMP13TARS1MMP1
SCHEMBL7163920 0.79 TARS1 (0.54) CTSKCTSSMMP13TARS1MMP1
SCHEMBL7616420 0.78 CTSK (0.44) CTSKCTSSCTSLMEN1KMT2A
SCHEMBL7816028 0.78 CA5A (0.56) CTSKCTSSMMP13CTSL
SCHEMBL7165313 0.76 MMP13 (0.60) CTSKCTSSMMP13TARS1CTSL
SCHEMBL7344886 0.75 TARS1 (0.42) CTSKCTSSMMP13TARS1MMP1
SCHEMBL7241035 0.73 HSP90AA1 (0.43) CTSKCTSSMMP13TARS1MMP1

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 6 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-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 (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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