SCHEMBL4629975

SCHEMBL4629975

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ ADAMTS4 O75173 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GNPAT O15228 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ECE1 P42892 1/20 0.34

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
SCHEMBL3783821 1.00 ALDH1A1 (0.42) ALDH1A1ADAMTS4MAPTPTGS2KDM4E
SCHEMBL4629978 1.00 ALDH1A1 (0.42) ALDH1A1ADAMTS4MAPTPTGS2KDM4E
SCHEMBL14288628 0.84 ALDH1A1 (0.46) ALDH1A1MAPTPTGS2KDM4ETHRB
SCHEMBL22277301 0.83 GNPAT (0.54) ALDH1A1ADAMTS4MAPTPTGS2KDM4E
SCHEMBL20231564 0.83 GNPAT (0.54) ALDH1A1ADAMTS4MAPTPTGS2KDM4E
SCHEMBL14396604 0.83 ADAMTS4 (0.37) ALDH1A1ADAMTS4MAPTPTGS2CA1
SCHEMBL24664421 0.80 ECE1 (0.39) ALDH1A1MAPTPTGS2KDM4ETHRB
SCHEMBL11191528 0.80 SMN1; SMN2 (0.38) ALDH1A1MAPTPTGS2KDM4ETHRB
SCHEMBL15786204 0.78 TSHR (0.39) ALDH1A1MAPTPTGS2KDM4ETHRB
SCHEMBL754156 0.78 CA1 (0.42) ALDH1A1ADAMTS4MAPTPTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694630-B1 METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM FINE CHEM AUSTRIA GMBH (AT) 2008-05-07 — — EP disclosed
US-20070123589-A1 Method for producing chiral or enantiomer-enriched beta-amino acids, aldehydes, ketones and gama-amino alcohols DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-05-31 — — US disclosed
EP-1694630-A1 IMPROVED METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2006-08-30 — — EP disclosed
WO-2005063682-A1 IMPROVED METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-07-14 — — WO 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-20070123589-A1 Method for producing chiral or enantiomer-enriched beta-amino acids, aldehydes, ketones and gama-amino alcohols GLRA1, GLRB, GLRA2 ALDH1A1 97/4885ADAMTS4 4836/4885MAPT 3948/4885

“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.

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