SCHEMBL5098770

SCHEMBL5098770

Cc1ccc2c(c1)CC(C)(C(=O)O)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.44
MAPT P10636 1/20 0.38
AKR1B1 P15121 1/20 0.38
KDM4E B2RXH2 5/20 0.38
ATM Q13315 2/20 0.38
RAD52 P43351 1/20 0.38
HTT P42858 3/20 0.36
ALDH1A1 P00352 1/20 0.36
F2 P00734 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
MMP12 P39900 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
TSHR P16473 1/20 0.34
RXRA P19793 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL23618118 0.84 PPARA (0.47) PPARAMAPTKDM4EALDH1A1GAA
SCHEMBL29495503 0.83 PPARA (0.48) PPARAAKR1B1HTTLMNANOTUM
SCHEMBL13913065 0.83 PPARA (0.43) PPARAAKR1B1KDM4EPOLBL3MBTL1
SCHEMBL29495290 0.83 PPARA (0.48) PPARAAKR1B1HTTLMNANOTUM
SCHEMBL19469478 0.83 PPARA (0.48) PPARAAKR1B1HTTLMNANOTUM
SCHEMBL19469463 0.83 PPARA (0.48) PPARAAKR1B1HTTLMNANOTUM
SCHEMBL19469461 0.83 PPARA (0.48) PPARAAKR1B1HTTLMNANOTUM
SCHEMBL3520901 0.78 POLB (0.47) PPARAMAPTHTTSMN1; SMN2POLB
SCHEMBL17224747 0.77 AKR1B1 (0.44) AKR1B1KDM4EATMRAD52HTT
SCHEMBL12856785 0.76 KDM4E (0.44) MAPTAKR1B1KDM4EATMRAD52

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-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
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
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
CN-1444481-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN 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
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 PPARA 1359/4885MAPT 902/4885AKR1B1 2437/4885
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 PPARA 962/4885MAPT 1274/4885AKR1B1 2274/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ PPARA 1359/4885MAPT 902/4885AKR1B1 2437/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ PPARA 1359/4885MAPT 902/4885AKR1B1 2437/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ PPARA 1359/4885MAPT 902/4885AKR1B1 2437/4885

“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.