SCHEMBL7160684

SCHEMBL7160684

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](O)C(C)NS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.51
▸ CA1 P00915 1/20 0.49
▸ CTSK P43235 10/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSL P07711 2/20 0.49
▸ CTSB P07858 1/20 0.49
▸ MMP12 P39900 2/20 0.47
▸ MMP13 P45452 2/20 0.47
▸ PSMB1 P20618 1/20 0.45
▸ CAPN1 P07384 2/20 0.45
▸ CAPN2 P17655 1/20 0.45
▸ REN P00797 2/20 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
SCHEMBL7378360 0.94 CA5A (0.46) CA5ACA1CTSKCTSSCTSL
SCHEMBL7376478 0.88 PSMB1 (0.47) CA5ACA1CTSKCTSSCTSL
SCHEMBL5934952 0.87 CA5A (0.51) CA5ACA1CTSKCTSSCTSL
SCHEMBL7160690 0.85 MMP12 (0.49) CA5ACA1CTSKCTSSCTSL
SCHEMBL5934907 0.84 CA5A (0.52) CA5ACA1CTSKCTSSCTSL
SCHEMBL8042541 0.81 CASP1 (0.49) CA5ACA1CTSKCTSSCTSL
SCHEMBL5934954 0.81 MMP12 (0.49) CA5ACA1CTSKCTSSCTSL
SCHEMBL5934909 0.78 CASP1 (0.49) CA5ACA1CTSKCTSSCTSL
SCHEMBL7163257 0.76 CTSK (0.46) CA5ACA1CTSKCTSSCTSL
SCHEMBL6685713 0.75 MMP12 (0.43) CA5ACA1CTSKCTSSCTSL

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 9 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-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

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 CA5A 451/4885CA1 317/4885CTSK 1/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CA5A 451/4885CA1 317/4885CTSK 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