SCHEMBL17404128

SCHEMBL17404128

C[C@@H](O)[C@H](NC(=O)c1ccccc1O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
LMNA P02545 7/20 0.62
HPGD P15428 6/20 0.62
HSD17B10 Q99714 5/20 0.62
ALDH1A1 P00352 5/20 0.62
TSHR P16473 2/20 0.54
CA2 P00918 4/20 0.51
CA1 P00915 3/20 0.51
HTT P42858 4/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
MPO P05164 1/20 0.49
HIF1A Q16665 1/20 0.49
MME P08473 1/20 0.46
NPC1 O15118 2/20 0.45
CA12 O43570 1/20 0.44
HMGB1 P09429 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
SCHEMBL17403869 1.00 KDM4E (0.62) KDM4ELMNAHPGDHSD17B10ALDH1A1
SCHEMBL6809240 0.88 CA2 (0.49) KDM4ELMNAHPGDHSD17B10ALDH1A1
SCHEMBL6809242 0.88 CA2 (0.49) KDM4ELMNAHPGDHSD17B10ALDH1A1
SCHEMBL18285162 0.88 CA2 (0.49) KDM4ELMNAHPGDHSD17B10ALDH1A1
SCHEMBL27536297 0.88 CA2 (0.49) KDM4ELMNAHPGDHSD17B10ALDH1A1
SCHEMBL17403870 0.84 KDM4E (0.55) KDM4ELMNAHPGDHSD17B10ALDH1A1
SCHEMBL17404087 0.84 KDM4E (0.55) KDM4ELMNAHPGDHSD17B10ALDH1A1
SCHEMBL9829969 0.82 PYGL (0.54) KDM4ELMNAALDH1A1CA2CA1
SCHEMBL9829960 0.82 PYGL (0.54) KDM4ELMNAALDH1A1CA2CA1
SCHEMBL29885579 0.82 MMP2 (0.50) KDM4ELMNAHPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002269-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-01-07 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-20160002269-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF VAC14, LPXN, SLC39A7 KDM4E 2416/4885LMNA 242/4885HPGD 2618/4885

“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.