SCHEMBL7163984

SCHEMBL7163984

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C)C(=O)NCC(=O)CNS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.46
▸ CTSS P25774 1/20 0.40
▸ MMP12 P39900 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ MMP8 P22894 4/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PTGDR Q13258 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL7168876 0.88 CTSK (0.45) CTSKCTSSMMP12MMP13HSD11B1
SCHEMBL7163435 0.78 CTSK (0.49) CTSKCTSSMMP12MMP13HSD11B1
SCHEMBL5934907 0.78 CA5A (0.52) CTSKCTSS
SCHEMBL7164870 0.71 MMP12 (0.41) CTSKCTSSMMP12MMP13HSD11B1
SCHEMBL7563665 0.68 CTSK (0.49) CTSKCTSSSMN1; SMN2
SCHEMBL5934913 0.68 MMP12 (0.47) CTSKMMP12MMP13HSD11B1KDM4E
SCHEMBL4424736 0.68 MMP13 (0.70) MMP12MMP13MMP3KDM4EKMT2A
SCHEMBL27540150 0.68 MMP13 (0.70) MMP12MMP13MMP3KDM4EKMT2A
SCHEMBL8042541 0.67 CASP1 (0.49) CTSKCTSS
SCHEMBL5934952 0.67 CA5A (0.51) CTSKCTSSMMP12MMP13

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 CTSK 1/4885CTSS 8/4885MMP12 11/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSS 8/4885MMP12 11/4885

“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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