SCHEMBL20175899

SCHEMBL20175899

CCCOCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
KDM4E B2RXH2 4/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RARB P10826 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
USP2 O75604 2/20 0.34
TP53 P04637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PPARG P37231 1/20 0.34
RARA P10276 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL11963461 0.93 TSHR (0.37) TSHRKDM4ELMNAKMT2AMEN1
Sp-420 SCHEMBL31756853 0.92 SLC22A12 (0.37) KDM4ERARBPPARGRARA
Sp-420 SCHEMBL1314906 0.92 SLC22A12 (0.37) KDM4ERARBPPARGRARA
SCHEMBL30754443 0.92 SLC22A12 (0.37) KDM4ERARBPPARGRARA
SCHEMBL11963439 0.92 SLC22A12 (0.37) KDM4ERARBPPARGRARA
SCHEMBL1315301 0.92 SLC22A12 (0.37) KDM4ERARBPPARGRARA
SCHEMBL1315276 0.92 SLC22A12 (0.37) KDM4ERARBPPARGRARA
SCHEMBL11963323 0.92 SLC22A12 (0.37) KDM4ERARBPPARGRARA
SCHEMBL15923274 0.92 SLC22A12 (0.37) KDM4ERARBPPARGRARA
Sp-420 SCHEMBL1314903 0.92 SLC22A12 (0.37) KDM4ERARBPPARGRARA

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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 TSHR 1059/4885KDM4E 3749/4885LMNA 3779/4885

“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.