Sugi Predict

Sugi Predict / Compounds / SCHEMBL7159422

SCHEMBL7159422

SCHEMBL7159422

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.56
▸ CTSS P25774 1/20 0.56
▸ MMP1 P03956 4/20 0.44
▸ MMP13 P45452 8/20 0.43
▸ MMP2 P08253 7/20 0.43
▸ ADAMTS4 O75173 2/20 0.43
▸ MMP14 P50281 2/20 0.43
▸ ADAMTS5 Q9UNA0 2/20 0.43
▸ MEP1B Q16820 1/20 0.43
▸ TARS1 P26639 1/20 0.41
▸ MMP9 P14780 2/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL7168553 0.87 CTSK (0.42) CTSKCTSSMMP1MMP13MMP2
SCHEMBL7338790 0.86 CTSK (0.47) CTSKCTSSMMP1MMP13MMP2
SCHEMBL7344886 0.83 TARS1 (0.42) CTSKCTSSMMP1MMP13MMP2
SCHEMBL7165313 0.81 MMP13 (0.60) CTSKCTSSMMP1MMP13MMP2
SCHEMBL7250673 0.80 CTSK (0.39) CTSKCTSSALDH1A1SMN1; SMN2
SCHEMBL7248570 0.80 CTSK (0.61) CTSKCTSSMMP1MMP13MMP2
SCHEMBL7168737 0.77 CTSK (0.67) CTSKCTSSMMP1MMP13MMP2
SCHEMBL7241696 0.77 CTSK (0.41) CTSKMMP1ALDH1A1SMN1; SMN2
SCHEMBL7248005 0.75 CTSK (0.59) CTSKCTSSMMP1MMP13MMP2
SCHEMBL7241035 0.75 HSP90AA1 (0.43) CTSKCTSSMMP1MMP13MMP2

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 7 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-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 8/4885MMP1 22/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSS 8/4885MMP1 22/4885

“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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