SCHEMBL20175911

SCHEMBL20175911

CCCCCCCOc1ccc(C2=N[C@@](C)(C(=O)OC)CS2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.41
CNR1 P21554 4/20 0.41
PTPN11 Q06124 3/20 0.41
NR5A1 Q13285 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL20175917 1.00 CNR2 (0.41) CNR2CNR1PTPN11NR5A1MEN1
SCHEMBL20175919 0.97 MAPT (0.42) CNR2CNR1PTPN11MEN1NPC1
SCHEMBL18197341 0.93 MAOB (0.35) CNR2CNR1MEN1NPC1ALDH1A1
SCHEMBL20175913 0.92 PTPN11 (0.41) CNR2CNR1PTPN11NR5A1MEN1
SCHEMBL20175914 0.92 PTPN11 (0.41) CNR2CNR1PTPN11NR5A1MEN1
SCHEMBL18197337 0.92 PNLIP (0.36) CNR2CNR1
SCHEMBL20175912 0.91 PTPN11 (0.40) CNR2CNR1PTPN11NR5A1MEN1
SCHEMBL20175922 0.91 PTPN11 (0.40) CNR2CNR1PTPN11NR5A1MEN1
SCHEMBL20175921 0.91 PTPN11 (0.40) CNR2CNR1PTPN11NR5A1MEN1
SCHEMBL20176129 0.91 PTPN11 (0.40) CNR2CNR1PTPN11NR5A1MEN1

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 CNR2 3585/4885CNR1 3794/4885PTPN11 4644/4885

“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.