SCHEMBL7165402

SCHEMBL7165402

COC(=O)[C@H](CC(C)C)N(C)C(=O)OCc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.46
▸ CTSB P07858 3/20 0.46
▸ CTSK P43235 2/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP17A1 P05093 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ FAAH O00519 1/20 0.40

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
SCHEMBL7240649 1.00 CTSL (0.46) CTSLCTSBCTSKCTSSCYP3A4
SCHEMBL7159429 0.89 CTSL (0.46) CTSLCTSBCTSKCTSSCYP3A4
SCHEMBL27511371 0.89 CTSL (0.46) CTSLCTSBCTSKCTSSCYP3A4
SCHEMBL11306130 0.85 CTSK (0.58) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL11306127 0.85 CTSK (0.58) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL27495727 0.81 CYP3A4 (0.41) CTSLCTSBCTSKCTSSCYP3A4
SCHEMBL30476772 0.79 KMT2A (0.45) CYP3A4ALDH1A1KMT2ALMNAHTT
SCHEMBL7159347 0.78 PGR (0.47) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL27524849 0.78 PGR (0.47) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL16272898 0.77 CTSK (0.57) CTSLCTSBCTSKCTSSALDH1A1

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 12 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
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 (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 CTSL 14/4885CTSB 4/4885CTSK 1/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSL 14/4885CTSB 4/4885CTSK 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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