SCHEMBL4689740

SCHEMBL4689740

CC(NC1(C(=O)OC(C)(C)C)CCCCC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.36
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPT P10636 1/20 0.31
LTA4H P09960 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5626080 1.00 MME (0.36) MMECA12CA14MAPTLTA4H
SCHEMBL5389558 1.00 MME (0.36) MMECA12CA14MAPTLTA4H
SCHEMBL3543225 0.92 KMT2A (0.33) MMECA12CA14MEN1GAA
SCHEMBL5098960 0.92 KMT2A (0.33) MMECA12CA14MEN1GAA
SCHEMBL15461486 0.87 MAPT (0.34) CA12CA14MAPTGAAALDH1A1
SCHEMBL10794048 0.86 CA14 (0.43) CA12CA14MAPTALDH1A1L3MBTL1
SCHEMBL6294189 0.86 CA14 (0.43) CA12CA14MAPTALDH1A1L3MBTL1
SCHEMBL15461474 0.85 NPSR1 (0.32) MAPTALDH1A1L3MBTL1
SCHEMBL7280370 0.82 LMNA (0.31) GAA
SCHEMBL6633961 0.80 CTSK (0.31) MAPT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1384713-B1 4-amino-azepan-3-one derivatives as protease inhibitors SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP disclosed
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-7335632-B2 Beta-secretase inhibitors and methods of use thereof COMENTIS, INC. (US) 2008-02-26 US disclosed
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-05-10 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
US-20050239684-A1 Compounds which inhibit beta-secretase activity and methods of use thereof ZAPAQ, INC. (US) 2005-10-27 US disclosed
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 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
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP 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 (4 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-20050239684-A1 Compounds which inhibit beta-secretase activity and methods of use thereof BACE1, BACE2, APP MME 29/4885CA12 3412/4885CA14 3059/4885
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS MME 76/4885CA12 1740/4885CA14 1544/4885
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 MME 516/4885CA12 788/4885CA14 294/4885
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF MME 62/4885CA12 1028/4885CA14 859/4885

“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.