SCHEMBL517085

SCHEMBL517085

C[C@@H](O)[C@H](c1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.40
KDM4E B2RXH2 3/20 0.39
ATM Q13315 1/20 0.39
ALOX5 P09917 1/20 0.39
SLC6A4 P31645 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL17076303 1.00 AOC3 (0.40) AOC3KDM4EATMALOX5SLC6A4
SCHEMBL9134017 0.88 AOC3 (0.41) AOC3KDM4EATMALOX5SLC6A4
SCHEMBL3005419 0.86 AOC3 (0.51) AOC3KDM4EATMSLC6A4LMNA
SCHEMBL16932338 0.85 LMNA (0.41) AOC3KDM4EATMLMNAMAPK1
SCHEMBL1673370 0.83 NPSR1 (0.43) ALOX5SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL15609906 0.82 RIPK1 (0.39) AOC3KDM4EATMSLC6A4LMNA
SCHEMBL6823139 0.80 CES2 (0.40) ALDH1A1MEN1CYP2C9KMT2AGAA
SCHEMBL14908702 0.79 KDM4E (0.55) AOC3KDM4ESLC6A4LMNAALDH1A1
SCHEMBL5065158 0.79 KDM4E (0.55) AOC3KDM4ESLC6A4LMNAALDH1A1
SCHEMBL5065151 0.79 KDM4E (0.55) AOC3KDM4ESLC6A4LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658825-B2 Method for the preparation of aminophosphine ligands and their use in metal catalysts KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-02-25 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-08-12 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-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY AOC3 1102/4885KDM4E 1416/4885ATM 2236/4885
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS PNISR, PRMT9, PRMT8 AOC3 1990/4885KDM4E 2719/4885ATM 800/4885

“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.