SCHEMBL7255553

SCHEMBL7255553

CC(C)C[C@H](NC(=O)Cc1ccncc1)C(=O)NCC(=O)CNS(=O)(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.47
▸ CTSS P25774 7/20 0.47
▸ CTSL P07711 4/20 0.47
▸ CASP1 P29466 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CASP8 Q14790 1/20 0.40
▸ CTSB P07858 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ PSMB5 P28074 1/20 0.38

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
SCHEMBL7165070 0.86 CTSK (0.45) CTSKCTSSCTSLCASP1CASP3
SCHEMBL7163217 0.85 CTSK (0.56) CTSKCTSSCTSLCTSBCA1
SCHEMBL7250673 0.80 CTSK (0.39) CTSKCTSSCTSLANPEP
SCHEMBL7164798 0.79 CTSK (0.39) CTSKCTSSCTSLCTSBANPEP
SCHEMBL7249673 0.79 KMT2A (0.45) CTSKCTSSCTSLCASP1CASP3
SCHEMBL7164468 0.74 CTSK (0.52) CTSKCTSSCTSLCASP1CTSB
SCHEMBL7175172 0.73 CTSK (0.53) CTSKCTSSCTSB
SCHEMBL7160519 0.73 CTSK (0.63) CTSKCTSSCTSLCTSBCA1
SCHEMBL7610538 0.72 CTSK (0.56) CTSKCTSSCTSLCTSBCA1
SCHEMBL7163407 0.71 CTSK (0.47) CTSKCTSSCTSLCTSBCA5A

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 10 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-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-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 — — EP disclosed
EP-0934291-A4 — SMITHKLINE BEECHAM CORP (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 (1 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-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSS 8/4885CTSL 14/4885

“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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