SCHEMBL1144276

SCHEMBL1144276

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRAT P43155 1/20 0.41
PLA2G2C Q5R387 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 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
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL7731906 1.00 CRAT (0.41) CRATPLA2G2CLMNAPOLBKDM4E
SCHEMBL1144295 1.00 CRAT (0.41) CRATPLA2G2CLMNAPOLBKDM4E
SCHEMBL10936490 0.88 CRAT (0.45) CRATPLA2G2CKDM4EMAPTTHRB
SCHEMBL422585 0.83
SCHEMBL4531941 0.83 PLA2G2C (0.44) CRATPLA2G2CKDM4EMAPTTHRB
SCHEMBL4203049 0.82 ALDH1A1 (0.40) CRATPLA2G2CLMNAPOLBKDM4E
SCHEMBL11198123 0.80 CRAT (0.40) CRATPLA2G2CKDM4EMAPTTHRB
SCHEMBL10940119 0.80 GABRR1 (0.43) CRATPLA2G2CLMNAKDM4EMAPT
SCHEMBL6464991 0.79 PLA2G2C (0.54) PLA2G2CCA2GNPATPLA2G10
SCHEMBL7944471 0.79 PLA2G2C (0.54) PLA2G2CCA2GNPATPLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893296-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-22 US disclosed
US-6903233-B2 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-07 US disclosed
US-20040023344-A1 Method for producing an optically activ beta-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-02-05 US disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 EP 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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 CRAT 2302/4885PLA2G2C 1336/4885LMNA 3776/4885

“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.