SCHEMBL20175918

SCHEMBL20175918

CCCCOC(=O)[C@@]1(C)CSC(c2ccc(OCCCC)cc2O)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 2/20 0.36
PTPN11 Q06124 2/20 0.36
MCL1 Q07820 1/20 0.36
CNR2 P34972 6/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35

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 0.97 PTPN11 (0.41) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL20175913 0.97 PTPN11 (0.41) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL20176130 0.97 MEN1 (0.41) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL20175925 0.96 MEN1 (0.39) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL20175923 0.95 MAPT (0.41) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL20175926 0.94 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL18197326 0.94 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL18197327 0.94 CNR2 (0.38) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL20175922 0.94 PTPN11 (0.40) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL20176129 0.94 PTPN11 (0.40) MEN1ALDH1A1MAPTKMT2ANPC1

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 741/4885ALDH1A1 181/4885MAPT 3805/4885

“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.