SCHEMBL10076447

SCHEMBL10076447

Cc1ccc(C[C@@H](CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
PPARG P37231 2/20 0.49
PPARA Q07869 2/20 0.49
APP P05067 4/20 0.46
CTSS P25774 6/20 0.45
CTSK P43235 5/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ACE P12821 1/20 0.43
PTPRB P23467 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL21676555 1.00 ATM (0.55) ATMPPARGPPARAAPPCTSS
SCHEMBL6479279 0.89 CTSS (0.57) ATMPPARAAPPCTSSCTSK
SCHEMBL6479222 0.89 CTSS (0.57) ATMPPARAAPPCTSSCTSK
SCHEMBL6479218 0.89 CTSS (0.57) ATMPPARAAPPCTSSCTSK
SCHEMBL20577875 0.87 ATM (0.54) ATMPPARGPPARAAPPCTSS
SCHEMBL20661659 0.87 ATM (0.54) ATMPPARGPPARAAPPCTSS
SCHEMBL2617332 0.87 CTSS (0.58) ATMAPPCTSSCTSKCTSL
SCHEMBL20577877 0.87 ATM (0.54) ATMPPARGPPARAAPPCTSS
SCHEMBL14975258 0.87 ATM (0.54) ATMPPARGPPARAAPPCTSS
SCHEMBL7019352 0.87 ATM (0.54) ATMPPARGPPARAAPPCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY, INC. 2014-06-05 US disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 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 (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-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ATM 2278/4885PPARG 807/4885PPARA 1797/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ATM 2278/4885PPARG 807/4885PPARA 1797/4885

“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.