SCHEMBL10100484

SCHEMBL10100484

Cc1ccc(C(NC(=O)OC(C)(C)C)C(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
PPARA Q07869 4/20 0.47
CTSS P25774 5/20 0.45
CTSL P07711 2/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 1/20 0.45
PPARG P37231 3/20 0.43
TACR1 P25103 1/20 0.43
CTSK P43235 3/20 0.43
CTSB P07858 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KLK5 Q9Y337 2/20 0.42
KLK7 P49862 1/20 0.42
ACE P12821 1/20 0.42
POLB P06746 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
SCHEMBL10100418 0.93 SYK (0.54) SYKPPARACTSSCTSLATM
SCHEMBL10100486 0.90 SYK (0.49) SYKPPARACTSSCTSLATM
SCHEMBL10100489 0.89 ATM (0.51) SYKPPARACTSSCTSLATM
SCHEMBL10100478 0.88 SYK (0.47) SYKPPARACTSSCTSLATM
SCHEMBL10100475 0.84 SYK (0.50) SYKPPARACTSSCTSLATM
SCHEMBL3771946 0.82 SYK (0.53) SYKPPARACTSSCTSLATM
SCHEMBL10100501 0.81 SYK (0.50) SYKPPARACTSSCTSLATM
SCHEMBL13168664 0.81 CYP3A4 (0.50) CTSSCTSLATMCTSKCNR1
SCHEMBL10100505 0.81 SYK (0.49) SYKPPARACTSSCTSLATM
SCHEMBL19829636 0.81 KLK5 (0.50) SYKPPARACTSSCTSLATM

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 SYK 4085/4885PPARA 2259/4885CTSS 104/4885

“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.