SCHEMBL18197337

SCHEMBL18197337

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 2/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
PDK2 Q15119 3/20 0.35
ALDH2 P05091 3/20 0.35
MAOB P27338 5/20 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
SCHEMBL18197341 0.93 MAOB (0.35) CNR2CNR1MAOB
SCHEMBL20175911 0.92 CNR2 (0.41) CNR2CNR1
SCHEMBL20175917 0.92 CNR2 (0.41) CNR2CNR1
SCHEMBL20175919 0.91 MAPT (0.42) CNR2CNR1
SCHEMBL18197355 0.90 MAPT (0.37) CNR2CNR1PDK2ALDH2MAOB
SCHEMBL18197339 0.90 PDE3B (0.41) CNR2CNR1
SCHEMBL18189636 0.90 PDK2 (0.39) PNLIPPDK2ALDH2MAOB
SCHEMBL18189644 0.90 PDK2 (0.39) PNLIPPDK2ALDH2MAOB
SCHEMBL18197345 0.89 CNR2 (0.36) CNR2CNR1PDK2ALDH2MAOB
SCHEMBL18197327 0.89 CNR2 (0.38) CNR2CNR1

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 PNLIP 225/4885CNR2 3585/4885CNR1 3794/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 PNLIP 225/4885CNR2 3585/4885CNR1 3794/4885

“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.