SCHEMBL10100478

SCHEMBL10100478

Cc1cccc(C(NC(=O)OC(C)(C)C)C(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
POLB P06746 1/20 0.46
PPARA Q07869 1/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK2 O60674 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
TACR1 P25103 1/20 0.43
BACE1 P56817 2/20 0.43
S1PR4 O95977 1/20 0.43
F2 P00734 1/20 0.43
TP53 P04637 1/20 0.43
XBP1 P17861 1/20 0.43

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 0.90 SYK (0.54) SYKPOLBPPARAMAPTCTSS
SCHEMBL10100484 0.88 SYK (0.50) SYKPOLBPPARAMAPTTACR1
SCHEMBL10100486 0.82 SYK (0.49) SYKPPARAKMT2AMAPTMEN1
SCHEMBL13168661 0.82 MEN1 (0.49) POLBLMNAHTTKMT2AMAPT
SCHEMBL10100489 0.81 ATM (0.51) SYKPPARAKMT2AMAPTMEN1
SCHEMBL10100475 0.81 SYK (0.50) SYKPOLBPPARAMAPTCTSS
SCHEMBL14699539 0.81 KMT2A (0.47) SYKPPARAKMT2ASMN1; SMN2KLK5
SCHEMBL14699537 0.81 KMT2A (0.47) SYKPPARAKMT2ASMN1; SMN2KLK5
SCHEMBL16178663 0.80 KMT2A (0.47) SYKPPARAKMT2ASMN1; SMN2KLK5
SCHEMBL16178662 0.80 KMT2A (0.47) SYKPPARAKMT2ASMN1; SMN2KLK5

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 4085/4885POLB 1279/4885PPARA 2259/4885

“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.