SCHEMBL5934949

SCHEMBL5934949

CC(C)CC(NC(=O)O)C(=O)N(CC(=O)CNS(=O)(=O)c1ccc2oc3ccccc3c2c1)Cc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 7/20 0.44
▸ MMP13 P45452 5/20 0.44
▸ CTSK P43235 2/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ HTT P42858 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CTSB P07858 1/20 0.35

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
SCHEMBL5934913 0.95 MMP12 (0.47) MMP12MMP13CTSKKEAP1GAA
SCHEMBL6683187 0.91 MMP12 (0.40) MMP12MMP13CTSKCTSBCTSS
SCHEMBL6681062 0.87 MMP12 (0.43) MMP12MMP13KEAP1GAAHTT
SCHEMBL6685713 0.86 MMP12 (0.43) MMP12MMP13CTSKCTSBCTSS
SCHEMBL6687739 0.86 MMP12 (0.42) MMP12MMP13CTSKKEAP1GAA
SCHEMBL7374325 0.82 MMP12 (0.47) MMP12MMP13KEAP1GAAHTT
SCHEMBL5934714 0.81 CTSK (0.36) CTSKCYP1A2CYP2C19LMNAMAPT
SCHEMBL6687382 0.81 MMP12 (0.43) MMP12MMP13KEAP1GAAHTT
SCHEMBL6687741 0.77 MMP12 (0.40) MMP12MMP13KEAP1GAAHTT
SCHEMBL7163257 0.77 CTSK (0.46) MMP12MMP13CTSKCTSBCTSS

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 21 patents — showing the first 20. 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
WO-2004058238-A1 USE OF CATHEPSIN K INHIBITORS FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2004-07-15 — — WO 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
EP-0934291-A4 — SMITHKLINE BEECHAM CORP (US) 1999-08-11 — — EP claimed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 — — EP claimed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 — — WO claimed
US-20060020001-A1 Use of cathepsin k inhibitors for the treatment of glaucoma ALCON, INC. (CH) 2006-01-26 — — US disclosed
WO-2004058238-A1 USE OF CATHEPSIN K INHIBITORS FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2004-07-15 — — WO 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-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 MMP12 11/4885MMP13 10/4885CTSK 1/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG MMP12 11/4885MMP13 10/4885CTSK 1/4885

“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