SCHEMBL10161045

SCHEMBL10161045

CC(C)C(=O)[C@@H]1CC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.47
SLC1A2 P43004 3/20 0.40
GABRR1 P24046 3/20 0.40
SLC1A1 P43005 2/20 0.40
GRM2 Q14416 2/20 0.37
GRM3 Q14832 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.37
GRM5 P41594 1/20 0.37
PMP22 Q01453 1/20 0.37
GRM1 Q13255 1/20 0.37
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRR2 P28476 1/20 0.34

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
SCHEMBL10161044 1.00 ACE (0.47) ACESLC1A2GABRR1SLC1A1GRM2
SCHEMBL10137790 0.91 ACE (0.53) ACELMNAKDM4E
SCHEMBL2755799 0.85 GABRR1 (0.40) ACESLC1A2GABRR1SLC1A1GRM2
SCHEMBL19913393 0.85 GABRR1 (0.40) ACESLC1A2GABRR1SLC1A1GRM2
SCHEMBL13160838 0.85 GABRR1 (0.40) ACESLC1A2GABRR1SLC1A1GRM2
SCHEMBL10208126 0.85 GABRR1 (0.40) ACESLC1A2GABRR1SLC1A1GRM2
SCHEMBL16185864 0.80 ACE (0.32) ACE
SCHEMBL21790294 0.79 ACE (0.46) ACEMEN1KMT2A
SCHEMBL21100173 0.79 ACE (0.41) ACEKDM4E
SCHEMBL10308381 0.78 CHRNB2 (0.34) GRM2GRM3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7851439-B2 EFTU inhibitors or aminothiazoles and their uses NOVARTIS AG (CH) 2010-12-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection NOVARTIS AG (CH) 2008-09-11 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US 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-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection LPO, PCNA, BPGM ACE 1201/4885SLC1A2 4310/4885GABRR1 2992/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ACE 109/4885SLC1A2 2325/4885GABRR1 1521/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ACE 109/4885SLC1A2 2325/4885GABRR1 1521/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ACE 109/4885SLC1A2 2325/4885GABRR1 1521/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ACE 109/4885SLC1A2 2325/4885GABRR1 1521/4885

“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.