SCHEMBL5935008

SCHEMBL5935008

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C(N)C(=O)CNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CTSK P43235 11/20 0.43
▸ CTSS P25774 8/20 0.43
▸ CTSL P07711 7/20 0.43
▸ CTSB P07858 2/20 0.43
▸ BCL2L1 Q07817 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ CA5A P35218 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ CA1 P00915 1/20 0.40

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
SCHEMBL7165084 0.90 MAPT (0.47) MAPTHSD11B1CASP1CTSKCTSS
SCHEMBL5935007 0.87 CTSK (0.51) MAPTHSD11B1CTSKCTSSCTSL
SCHEMBL5934591 0.86 CASP1 (0.56) CASP1CTSKCTSSCTSLCTSB
SCHEMBL7165081 0.83 CTSK (0.51) MAPTHSD11B1CTSKCTSSCTSL
SCHEMBL5934721 0.81 CASP1 (0.58) CASP1CTSKCTSSCTSLCTSB
SCHEMBL5934909 0.74 CASP1 (0.49) CASP1CTSKCTSSCTSLCTSB
SCHEMBL5935027 0.71 CASP1 (0.47) CASP1CTSKCTSSCTSLCTSB
SCHEMBL5934588 0.71 CTSK (0.63) CASP1CTSKCTSSCTSLCTSB
SCHEMBL7164038 0.67 CTSK (0.62) CTSKCTSSCTSLCTSBCA5A
SCHEMBL4669753 0.67 CTSK (0.64) CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060020001-A1 Use of cathepsin k inhibitors for the treatment of glaucoma ALCON, INC. (CH) 2006-01-26 — — US claimed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 — — US claimed
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 — — US claimed
US-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 — — US claimed
US-20060020001-A1 Use of cathepsin k inhibitors for the treatment of glaucoma ALCON, INC. (CH) 2006-01-26 — — US disclosed
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
EP-0934291-A4 — SMITHKLINE BEECHAM CORP (US) 1999-08-11 — — EP disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (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 (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 MAPT 1072/4885HSD11B1 2999/4885CASP1 300/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG MAPT 1072/4885HSD11B1 2999/4885CASP1 300/4885

“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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