SCHEMBL10100466

SCHEMBL10100466

CCC(NC(=O)OC(C)(C)C)C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.60
▸ PPARA Q07869 3/20 0.51
▸ KLK5 Q9Y337 3/20 0.49
▸ CTSS P25774 4/20 0.48
▸ ATM Q13315 1/20 0.48
▸ CTSL P07711 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PPARG P37231 2/20 0.46
▸ CTSK P43235 5/20 0.46
▸ CTSB P07858 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ KLK7 P49862 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL10100471 0.88 CTSK (0.58) SYKPPARACTSSCTSLMAPT
SCHEMBL2137432 0.84 SYK (0.62) SYKPPARAKLK5CTSSATM
SCHEMBL2137438 0.84 SYK (0.62) SYKPPARAKLK5CTSSATM
SCHEMBL15483355 0.82 SYK (0.67) SYKPPARAKLK5CTSSATM
SCHEMBL10100418 0.82 SYK (0.54) SYKPPARAKLK5CTSSATM
SCHEMBL22687227 0.82 SYK (0.60) SYKPPARAKLK5CTSSATM
SCHEMBL22687224 0.82 SYK (0.60) SYKPPARAKLK5CTSSATM
SCHEMBL3911384 0.82 SYK (0.70) SYKPPARACTSSATMCTSL
SCHEMBL27532712 0.81 SYK (0.54) SYKPPARAKLK5CTSSATM
SCHEMBL1463134 0.81 POLB (0.58) SYKPPARACTSSATMCTSL

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 2259/4885KLK5 2812/4885

“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.

Send feedback