SCHEMBL7167909

SCHEMBL7167909

CC(C)C[C@H](NC(=O)c1cc(F)ccc1F)C(=O)NCC(=O)CNS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.51
▸ HTR6 P50406 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ NTSR1 P30989 2/20 0.42
▸ PSMB5 P28074 2/20 0.41
▸ PSMB11 A5LHX3 1/20 0.41
▸ PSMA7 O14818 1/20 0.41
▸ PSMB1 P20618 1/20 0.41
▸ PSMA1 P25786 1/20 0.41
▸ PSMA2 P25787 1/20 0.41
▸ PSMA3 P25788 1/20 0.41
▸ PSMA4 P25789 1/20 0.41
▸ PSMB8 P28062 1/20 0.41
▸ PSMB9 P28065 1/20 0.41
▸ PSMA5 P28066 1/20 0.41
▸ PSMB4 P28070 1/20 0.41
▸ PSMB6 P28072 1/20 0.41
▸ PSMB10 P40306 1/20 0.41
▸ PSMB3 P49720 1/20 0.41
▸ PSMB2 P49721 1/20 0.41

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
SCHEMBL7167328 0.84 CTSK (0.56) CTSKHTR6KCNH2NTSR1POLB
SCHEMBL7175172 0.80 CTSK (0.53) CTSKHTR6KCNH2NTSR1POLB
SCHEMBL7163876 0.80 HTR6 (0.43) CTSKHTR6KCNH2NTSR1POLB
SCHEMBL7530060 0.79 CTSK (0.69) CTSKMMP1ADAM17KCNA5CTSL
SCHEMBL7164468 0.78 CTSK (0.52) CTSKCTSLCTSSCTSB
SCHEMBL7561995 0.77 MMP1 (0.49) CTSKMMP1ADAM17CTSLCTSS
SCHEMBL7524135 0.77 MMP1 (0.47) CTSKNTSR1POLBMMP1ADAM17
SCHEMBL7468069 0.73 PPARG (0.64) POLBPPARG
SCHEMBL7169622 0.72 CTSK (0.45) CTSKHTR6KCNH2NTSR1POLB
SCHEMBL7563529 0.71 CTSL (0.52) CTSKMMP1ADAM17CTSLCTSS

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-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
EP-0934291-A4 — SMITHKLINE BEECHAM CORP (US) 1999-08-11 — — EP disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (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-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885HTR6 3754/4885KCNH2 4289/4885

“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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