SCHEMBL20175913

SCHEMBL20175913

CCCCCCOc1ccc(C2=N[C@@](C)(C(=O)OCCCC)CS2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.41
NR5A1 Q13285 1/20 0.40
CNR2 P34972 10/20 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
CNR1 P21554 3/20 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
SCHEMBL20175914 1.00 PTPN11 (0.41) PTPN11NR5A1CNR2MEN1NPC1
SCHEMBL20176129 0.97 PTPN11 (0.40) PTPN11NR5A1CNR2MEN1NPC1
SCHEMBL20175922 0.97 PTPN11 (0.40) PTPN11NR5A1CNR2MEN1NPC1
SCHEMBL20175918 0.97 MEN1 (0.42) PTPN11NR5A1CNR2MEN1NPC1
SCHEMBL18197326 0.95 MEN1 (0.38) PTPN11NR5A1CNR2MEN1NPC1
SCHEMBL18197327 0.95 CNR2 (0.38) PTPN11NR5A1CNR2MEN1NPC1
SCHEMBL20175912 0.95 PTPN11 (0.40) PTPN11NR5A1CNR2MEN1NPC1
SCHEMBL20175921 0.95 PTPN11 (0.40) PTPN11NR5A1CNR2MEN1NPC1
SCHEMBL20176130 0.94 MEN1 (0.41) PTPN11CNR2MEN1NPC1ALDH1A1
SCHEMBL20175925 0.93 MEN1 (0.39) CNR2MEN1NPC1ALDH1A1GAA

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 PTPN11 4644/4885NR5A1 2054/4885CNR2 3585/4885

“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.