SCHEMBL14040323

SCHEMBL14040323

CCOC(=O)C(Nc1ccccc1)C(C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
MMP8 P22894 2/20 0.43
PIN1 Q13526 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL24781805 0.91 GAA (0.49) GAAMMP8PIN1CA12CA1
SCHEMBL23204363 0.91 GAA (0.49) GAAMMP8PIN1CA12CA1
SCHEMBL10952879 0.86 GAA (0.50) GAAMMP8PIN1CA12CA1
SCHEMBL29768237 0.86 GAA (0.50) GAAMMP8PIN1CA12CA1
SCHEMBL11203443 0.84 GAA (0.49) GAAMMP8PIN1CA12CA1
SCHEMBL14269147 0.84 CA12 (0.48) GAACA12CA1CA2CA9
SCHEMBL14506064 0.84 CA12 (0.48) GAACA12CA1CA2CA9
SCHEMBL13512971 0.84 CA12 (0.48) GAACA12CA1CA2CA9
SCHEMBL13512973 0.84 CA12 (0.48) GAACA12CA1CA2CA9
SCHEMBL9338686 0.80 CA12 (0.54) GAAMMP8PIN1CA12CA1

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
EP-1620390-B1 METHOD FOR THE SYNTHESIS OF 4-HYDROXYISOLEUCINE AND THE DERIVATIVES THEREOF CENTRE NAT RECH SCIENT (FR) 2008-10-01 EP disclosed
US-7326805-B2 Method for the synthesis of 4-hydroxyisoleucine and the derivatives thereof MIOSKOWSKI CHARLES 2008-02-05 US disclosed
US-7326805-B2 Method for the synthesis of 4-hydroxyisoleucine and the derivatives thereof MIOSKOWSKI CHARLES 2008-02-05 US disclosed
US-20070043240-A1 Method for the synthesis of 4-hydroxyisoleucine and the derivatives thereof MIOSKOWSKI CHARLES 2007-02-22 US disclosed
US-20070043240-A1 Method for the synthesis of 4-hydroxyisoleucine and the derivatives thereof MIOSKOWSKI CHARLES 2007-02-22 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 (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-20070043240-A1 Method for the synthesis of 4-hydroxyisoleucine and the derivatives thereof IL4I1, CBR3, CBR1 GAA 2725/4885MMP8 4675/4885PIN1 1926/4885

“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.