SCHEMBL7164688

SCHEMBL7164688

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)c1cccc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.55
▸ CTSS P25774 5/20 0.55
▸ CTSL P07711 2/20 0.55
▸ CTSB P07858 1/20 0.55
▸ CAPN1 P07384 1/20 0.49
▸ CAPN2 P17655 1/20 0.49
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ CA1 P00915 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
SCHEMBL7561995 0.86 MMP1 (0.49) CTSKCTSSCTSLCTSB
SCHEMBL7563529 0.86 CTSL (0.52) CTSKCTSSCTSLCTSBHDAC1
SCHEMBL7164468 0.85 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7162220 0.84 CTSK (0.73) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7164852 0.83 TAS1R3 (0.58) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5934709 0.83 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7560380 0.83 CTSK (0.49) CTSKCTSSCTSLCTSBHDAC1
SCHEMBL7165207 0.81 CTSK (0.70) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL4669748 0.81 CTSK (0.73) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7673959 0.80 MMP1 (0.45) CTSKCTSSCTSL

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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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