SCHEMBL18197355

SCHEMBL18197355

CCOC(=O)[C@@]1(C)CSC(c2ccc(OCCCCCCO)cc2O)=N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH2 P05091 5/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
CNR2 P34972 4/20 0.35
CNR1 P21554 1/20 0.35
PDK2 Q15119 3/20 0.34
PTPN11 Q06124 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL18197345 0.93 CNR2 (0.36) MAPTMAPK1ALDH2MAOBCNR2
SCHEMBL18197327 0.93 CNR2 (0.38) MAPTCNR2CNR1PTPN11MEN1
SCHEMBL20175921 0.93 PTPN11 (0.40) MAPTABCB11LMNAMAPK1CNR2
SCHEMBL20175912 0.93 PTPN11 (0.40) MAPTABCB11LMNAMAPK1CNR2
SCHEMBL18197180 0.92 MAPT (0.37) MAPTABCB11LMNAMAPK1ALDH2
SCHEMBL20175923 0.92 MAPT (0.41) MAPTABCB11LMNAMAPK1CNR2
SCHEMBL18197181 0.91 MAPT (0.39) MAPTABCB11LMNAMAPK1MAOB
SCHEMBL18197343 0.90 PDK2 (0.45) MAPTABCB11LMNAMAPK1ALDH2
SCHEMBL18197337 0.90 PNLIP (0.36) ALDH2MAOBCNR2CNR1PDK2
SCHEMBL18197349 0.89 ALK (0.35) MAPTLMNAMAPK1ALDH2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570104-B2 Metabolically programmed metal chelators and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-25 US disclosed
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 US disclosed
WO-2016176343-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-11-03 WO 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 (2 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-10570104-B2 Metabolically programmed metal chelators and uses thereof FECH, SLC19A1, SLC40A1 MAPT 3805/4885ABCB11 509/4885LMNA 3779/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 MAPT 3805/4885ABCB11 509/4885LMNA 3779/4885

“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.