SCHEMBL20175901

SCHEMBL20175901

CCCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN11 Q06124 5/20 0.40
MCL1 Q07820 1/20 0.39
TSHR P16473 1/20 0.38
PDK2 Q15119 2/20 0.37
RXRA P19793 1/20 0.36
PPARD Q03181 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL20175897 0.97 PTPN11 (0.45) MEN1KMT2ANPC1ALDH1A1GAA
SCHEMBL20175900 0.97 PTPN11 (0.45) MEN1KMT2ANPC1ALDH1A1GAA
SCHEMBL20175899 0.91 TSHR (0.37) MEN1KMT2ANPC1ALDH1A1GAA
SCHEMBL18189622 0.91 PDK2 (0.43) PDK2PPARD
SCHEMBL18189625 0.91 PDK2 (0.43) PDK2PPARD
SCHEMBL20175902 0.91 CNR1 (0.41) MEN1KMT2ANPC1ALDH1A1GAA
SCHEMBL18189644 0.90 PDK2 (0.39) PTPN11PDK2
SCHEMBL18189636 0.90 PDK2 (0.39) PTPN11PDK2
SCHEMBL18189632 0.90 KDM4E (0.36) MEN1KMT2ANPC1ALDH1A1GAA
SCHEMBL18189634 0.90 KDM4E (0.36) MEN1KMT2ANPC1ALDH1A1GAA

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 MEN1 741/4885KMT2A 2059/4885NPC1 382/4885

“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.