SCHEMBL5138639

SCHEMBL5138639

CC(C)C[C@@H](C(=O)O)N(Cc1ccc2ccccc2c1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 2/20 0.52
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ BCHE P06276 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ ADAM17 P78536 2/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ MME P08473 4/20 0.38
▸ ACE P12821 3/20 0.38
▸ SLC1A3 P43003 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PSMB1 P20618 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ HDAC3 O15379 1/20 0.37

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
SCHEMBL5139136 0.89 ATM (0.43) F7CTSBCTSSCTSKAAK1
SCHEMBL27577265 0.89 ATM (0.43) F7CTSBCTSSCTSKAAK1
SCHEMBL8483052 0.85 GHSR (0.48) CTSBCTSSCTSKPTPN1MME
SCHEMBL7824775 0.85 GHSR (0.48) CTSBCTSSCTSKPTPN1MME
SCHEMBL19839793 0.83 MC3R (0.43) F7CTSBCTSSCTSKPTPN1
SCHEMBL560617 0.81 AAK1 (0.39) F7AAK1HDAC3HDAC1HDAC2
SCHEMBL560618 0.81 AAK1 (0.39) F7AAK1HDAC3HDAC1HDAC2
SCHEMBL4563902 0.81 AAK1 (0.43) F7AAK1HDAC3HDAC1HDAC2
SCHEMBL18203970 0.81 AAK1 (0.43) F7AAK1HDAC3HDAC1HDAC2
SCHEMBL18203971 0.81 AAK1 (0.43) F7AAK1HDAC3HDAC1HDAC2

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-7405209-B2 e.g. 2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-3-oxo-azepan-4-ylcarbamoyl}carbamic acid benzyl ester; protease inhibitors like cathepsin K; osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION (US) 2008-07-29 — — US disclosed
CN-1253441-C Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2006-04-26 — — CN disclosed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 — — US disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 — — EP disclosed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 — — EP disclosed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 — — US disclosed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 — — US disclosed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 — — US disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 — — EP disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 — — US disclosed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 — — CN disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 — — 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 (5 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-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ F7 3071/4885CTSB 15/4885CTSS 10/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE F7 3692/4885CTSB 13/4885CTSS 4/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ F7 3071/4885CTSB 15/4885CTSS 10/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ F7 3071/4885CTSB 15/4885CTSS 10/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ F7 3071/4885CTSB 15/4885CTSS 10/4885

“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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