SCHEMBL178660

SCHEMBL178660

O=C(NC(CSCc1ccc(O)c2ncccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC17A5 Q9NRA2 1/20 0.58
MDM4 O15151 3/20 0.49
TP53 P04637 3/20 0.49
MDM2 Q00987 7/20 0.45
BRD4 O60885 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PTPN1 P18031 1/20 0.40
CASP3 P42574 1/20 0.40
TLR2 O60603 1/20 0.39

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
SCHEMBL12122944 1.00 SLC17A5 (0.58) SLC17A5MDM4TP53MDM2BRD4
SCHEMBL178559 1.00 SLC17A5 (0.58) SLC17A5MDM4TP53MDM2BRD4
SCHEMBL12119930 0.87 SLC17A5 (0.44) SLC17A5MDM4TP53MDM2BRD4
SCHEMBL29908094 0.79 SLC17A5 (0.61) SLC17A5MDM4TP53CASP3
SCHEMBL119188 0.79 SLC17A5 (0.61) SLC17A5MDM4TP53CASP3
SCHEMBL29401307 0.79 SLC17A5 (0.61) SLC17A5MDM4TP53CASP3
SCHEMBL27620508 0.79 SLC17A5 (0.61) SLC17A5MDM4TP53CASP3
SCHEMBL118371 0.77 MDM4 (0.52) SLC17A5MDM4TP53MDM2PTPN1
SCHEMBL19888241 0.76 SLC17A5 (0.58) SLC17A5MDM4TP53MDM2CASP3
SCHEMBL25354133 0.76 MDM4 (0.52) SLC17A5MDM4TP53MDM2HDAC1

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-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 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-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FECH, HMOX1, FTH1 SLC17A5 1725/4885MDM4 3970/4885TP53 1767/4885

“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.