SCHEMBL20175916

SCHEMBL20175916

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 4/20 0.34
NPSR1 Q6W5P4 3/20 0.33
USP2 O75604 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL12841233 0.93 OPRK1 (0.36) KDM4EAPPHSP90AA1PPARGTDP1
SCHEMBL15029754 0.93 OPRK1 (0.36) KDM4EAPPHSP90AA1PPARGTDP1
SCHEMBL20176131 0.92 MAPT (0.36) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL18197338 0.92 ALK (0.36) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL20175919 0.92 MAPT (0.42) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL20175920 0.91 MEN1 (0.38) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL20175926 0.90 MEN1 (0.38) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL20175899 0.90 TSHR (0.37) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL18197354 0.89 LPAR2 (0.35) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL20175911 0.89 CNR2 (0.41) MAPTMEN1KMT2AALDH1A1RAB9A

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 MAPT 3805/4885MEN1 741/4885KMT2A 2059/4885

“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.