SCHEMBL7163920

SCHEMBL7163920

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TARS1 P26639 1/20 0.54
▸ MMP2 P08253 9/20 0.53
▸ CA2 P00918 6/20 0.53
▸ CA9 Q16790 6/20 0.53
▸ LARS1 Q9P2J5 3/20 0.53
▸ CTSK P43235 2/20 0.49
▸ CTSS P25774 1/20 0.49
▸ MMP13 P45452 5/20 0.47
▸ ADAMTS4 O75173 3/20 0.47
▸ MMP14 P50281 2/20 0.47
▸ ADAMTS5 Q9UNA0 2/20 0.47
▸ MMP1 P03956 2/20 0.46
▸ MEP1B Q16820 1/20 0.46
▸ MMP9 P14780 2/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP7 P09237 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45

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 0.85 TARS1 (0.42) TARS1MMP2CA2CA9LARS1
SCHEMBL19792904 0.82 LARS1 (0.78) TARS1MMP2LARS1CTSKCTSS
SCHEMBL7164038 0.80 CTSK (0.62) CTSKCTSSMMP13CA1
SCHEMBL7163244 0.79 CTSK (0.46) TARS1MMP2CA2CA9CTSK
SCHEMBL7168553 0.78 CTSK (0.42) TARS1MMP2CA2CA9CTSK
SCHEMBL7244091 0.78 CTSK (0.46) TARS1MMP2CA2CA9CTSK
SCHEMBL7806101 0.78 TARS1 (0.57) TARS1MMP2CA2CA9LARS1
SCHEMBL7241035 0.78 HSP90AA1 (0.43) TARS1MMP2CA2CA9CTSK
SCHEMBL7616420 0.77 CTSK (0.44) MMP2CA2CA9CTSKCTSS
SCHEMBL6622127 0.77 CTSK (0.47) LARS1CTSKCTSS

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-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-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 — — 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
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP 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
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO 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-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 (3 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-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily PEPD, PREP, CPN1 TARS1 1905/4885MMP2 119/4885CA2 187/4885
US-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG TARS1 3880/4885MMP2 26/4885CA2 124/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG TARS1 3880/4885MMP2 26/4885CA2 124/4885

“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.

Send feedback