SCHEMBL4410808

SCHEMBL4410808

N[C@@H](Cc1ccc(O)cc1)C(=O)OC(=O)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
SLC7A5 Q01650 2/20 0.50
HDAC8 Q9BY41 3/20 0.46
CYP19A1 P11511 1/20 0.46
TYR P14679 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
LIG1 P18858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL27850898 0.92 TDP1 (0.56) TDP1SLC7A5TYRLMNATSHR
SCHEMBL28013153 0.90 TDP1 (0.55) TDP1SLC7A5TYRLMNATSHR
SCHEMBL11350226 0.86 SERPINE1 (0.53) SLC7A5TYRALDH1A1
SCHEMBL8332481 0.83 SLC7A5 (0.57) TDP1SLC7A5HDAC8TYRLMNA
SCHEMBL1422055 0.82 SLC7A5 (0.64) SLC7A5HDAC8TYRLMNAALPI
SCHEMBL27680265 0.82 SLC7A5 (0.67) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL4453960 0.82 SLC7A5 (0.67) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL11349279 0.81 SLC7A5 (0.57) SLC7A5HDAC8CYP19A1LMNATSHR
SCHEMBL11349283 0.81 SLC7A5 (0.57) SLC7A5HDAC8CYP19A1LMNATSHR
SCHEMBL19031771 0.81 SLC7A5 (0.57) TDP1SLC7A5HDAC8LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036918-A1 PEPTIDE DERIVATIVE Vexon, Inc. (JP) 2009-03-18 EP claimed
US-20080009448-A1 Peptide Derivative VEXON, INC. (50%) (JP) 2008-01-10 US claimed
EP-2036918-A1 PEPTIDE DERIVATIVE Vexon, Inc. (JP) 2009-03-18 EP disclosed
US-20080009448-A1 Peptide Derivative VEXON, INC. (50%) (JP) 2008-01-10 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-20080009448-A1 Peptide Derivative ARGLU1, NGLY1, NPR3 TDP1 2092/4885SLC7A5 221/4885HDAC8 4034/4885

“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.