SCHEMBL10100489

SCHEMBL10100489

COc1ccc(C(NC(=O)OC(C)(C)C)C(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
CACNA1B Q00975 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ACHE P22303 1/20 0.49
SYK P43405 1/20 0.48
CNR2 P34972 1/20 0.47
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.44
CTSS P25774 2/20 0.43
MAPT P10636 1/20 0.43
CTSL P07711 1/20 0.43
CTSK P43235 1/20 0.43
ABCB1 P08183 1/20 0.43
PLAU P00749 1/20 0.42
KLK5 Q9Y337 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL10100418 0.91 SYK (0.54) ATMSYKPPARAPPARGCTSS
SCHEMBL10100484 0.89 SYK (0.50) ATMSYKCNR2PPARAPPARG
SCHEMBL10100486 0.88 SYK (0.49) ATMSYKCNR2PPARAPPARG
SCHEMBL12292859 0.86 ATM (0.56) ATMCACNA1BCA1CA2ACHE
SCHEMBL13723080 0.86 ATM (0.56) ATMCACNA1BCA1CA2ACHE
SCHEMBL12292863 0.86 ATM (0.54) ATMCACNA1BCA1CA2ACHE
SCHEMBL12292858 0.86 ATM (0.56) ATMCACNA1BCA1CA2ACHE
SCHEMBL12293236 0.86 ATM (0.54) ATMCACNA1BCA1CA2ACHE
SCHEMBL21130847 0.83 ATM (0.50) ATMCACNA1BCA1CA2ACHE
SCHEMBL26043073 0.83 ATM (0.50) ATMCACNA1BCA1CA2ACHE

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-8097750-B2 Highly enantioselective, converting aromatic and aliphatic aldehydes into optically active aryl and alkyl beta -amino acids BRANDEIS UNIVERSITY (US) 2012-01-17 US disclosed
US-20080228000-A1 Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions BRANDEIS UNIVERSITY (US) 2008-09-18 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 (1 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-20080228000-A1 Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions MANBA, MAN2A1, ASNS ATM 484/4885CACNA1B 2361/4885CA1 456/4885

“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.