SCHEMBL3746012

SCHEMBL3746012

NC(=O)CC(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SLC15A1 P46059 2/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL9403704 0.95 ALDH1A1 (0.52) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL3746015 0.92 ALDH1A1 (0.49) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL18493299 0.86 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27615767 0.83 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7782947 0.83 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL14514418 0.83 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7782945 0.83 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL11195047 0.82 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27748674 0.82 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27452191 0.82 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286386-A1 Combinatorial production of nucleotide and nucleoside (XiTP) analogues INSTITUT PASTEUR 2010-11-11 US disclosed
US-7319148-B2 Combinatorial production of nucleotide and nucleoside (XiTP) analogues INSTITUT PASTEUR (FR) 2008-01-15 US disclosed
EP-1780214-A2 Combinatorial production of nucleotide and nucleoside analogues (XiTP) INSTITUT PASTEUR (FR) 2007-05-02 EP disclosed
EP-1290006-B1 Combinatorial production of nucleotide and nucleoside (XITP) analogues PASTEUR INSTITUT (FR) 2007-02-21 EP disclosed
US-20040023240-A1 Combinatorial production of nucleotide and nucleoside(xitp)analogues CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-02-05 US disclosed
EP-1290006-A1 COMBINATORIAL PRODUCTION OF NUCLEOTIDE AND NUCLEOSIDE (XITP)ANALOGUES INSTITUT PASTEUR (FR) 2003-03-12 EP disclosed
WO-2001096354-A1 COMBINATORIAL PRODUCTION OF NUCLEOTIDE AND NUCLEOSIDE (XITP)ANALOGUES INSTITUT PASTEUR (FR) 2001-12-20 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-20040023240-A1 Combinatorial production of nucleotide and nucleoside(xitp)analogues TYMP, PNP, DPYD ALDH1A1 1635/4885KMT2A 2119/4885TDP1 96/4885
US-20100286386-A1 Combinatorial production of nucleotide and nucleoside (XiTP) analogues TYMP, PNP, DPYD ALDH1A1 2422/4885KMT2A 2224/4885TDP1 135/4885

“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.