SCHEMBL4267236

SCHEMBL4267236

N[C@@H](CC1=CCC(O)(CO)C=C1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.37
PKM P14618 3/20 0.37
PTGS1 P23219 2/20 0.37
ALPI P09923 1/20 0.37
XIAP P98170 1/20 0.37
USP2 O75604 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ALOX15 P16050 2/20 0.34
HIF1A Q16665 2/20 0.34
KDM4E B2RXH2 2/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 2/20 0.34
RGS12 O14924 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP1 P29466 1/20 0.34
BRCA1 P38398 1/20 0.34
THPO P40225 1/20 0.34
CASP7 P55210 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
SCHEMBL125178 0.85 SLC7A5 (0.34) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL21411541 0.85 SLC7A5 (0.34) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL93817 0.83 SLC7A5 (0.33) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL597569 0.83 SLC7A5 (0.33) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL4262731 0.83 SLC7A5 (0.40) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL7200971 0.82 SLC7A5 (0.39) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL8740472 0.82 SLC7A5 (0.39) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL29462809 0.82 SLC7A5 (0.39) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL2389248 0.81 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL1614571 0.81 SLC7A5 (0.38) SLC7A5PKMPTGS1ALPIXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160068832-A1 Lyase Enzymes, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION 2016-03-10 US disclosed
US-9150845-B2 Lyase enzymes, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-10-06 US disclosed
EP-2886658-A1 Lyase enzymes, nucleic acids encoding them and methods for making and using them BASF Enzymes LLC (US) 2015-06-24 EP disclosed
US-20140178460-A1 Lyase Enzymes, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION (US) 2014-06-26 US disclosed
US-8735107-B2 Lyase enzymes, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2014-05-27 US disclosed
US-20120177722-A1 Lyaseenzymes, Nucleic Acids Encoding Them and Methods For Making and Using Them VERENIUM CORPORATION 2012-07-12 US disclosed
US-20090038023-A1 Lyase Enzymes, Nucleic Acids Encoding Them and Methods For Making and Using Them VERENIUM CORPORATION (US) 2009-02-05 US disclosed
EP-1869174-A2 LYASE ENZYMES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM Verenium Corporation (US) 2007-12-26 EP disclosed
WO-2006099207-A2 LYASE ENZYMES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2006-09-21 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 (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-20090038023-A1 Lyase Enzymes, Nucleic Acids Encoding Them and Methods For Making and Using Them PAH, PNP, PHYKPL SLC7A5 988/4885PKM 566/4885PTGS1 2695/4885
US-20120177722-A1 Lyaseenzymes, Nucleic Acids Encoding Them and Methods For Making and Using Them MTR, HMBS, AMPD1 SLC7A5 935/4885PKM 807/4885PTGS1 1431/4885

“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.