SCHEMBL7164852

SCHEMBL7164852

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)c1ccc2ncccc2c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.58
▸ TAS1R1 Q7RTX1 1/20 0.58
▸ CTSK P43235 14/20 0.53
▸ CTSS P25774 4/20 0.53
▸ CTSB P07858 2/20 0.53
▸ CTSL P07711 2/20 0.53
▸ CCR1 P32246 1/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ CAPN1 P07384 1/20 0.48
▸ CAPN2 P17655 1/20 0.48

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
SCHEMBL7165207 0.84 CTSK (0.70) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL7164688 0.83 CTSK (0.55) CTSKCTSSCTSBCTSLHDAC1
SCHEMBL7169021 0.82 CTSK (0.73) CTSKCTSSCTSBCTSL
SCHEMBL7167593 0.82 CTSK (0.74) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL5934709 0.82 CTSK (0.76) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL6925973 0.80 TAS1R3 (0.56) TAS1R3TAS1R1CTSKCTSSCTSB
SCHEMBL4669748 0.80 CTSK (0.73) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL5934832 0.78 CTSK (0.70) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL5934902 0.78 CTSK (0.70) CTSKCTSSCTSBCTSLCAPN1
SCHEMBL7164468 0.77 CTSK (0.52) CTSKCTSSCTSBCTSLCAPN1

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 8 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-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 (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-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG TAS1R3 3354/4885TAS1R1 3032/4885CTSK 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.

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