SCHEMBL18197341

SCHEMBL18197341

COCCCCCCOc1ccc(C2=N[C@@](C)(C(=O)OC)CS2)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.35
CNR2 P34972 5/20 0.34
CNR1 P21554 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL20175911 0.93 CNR2 (0.41) CNR2CNR1MEN1NPC1KMT2A
SCHEMBL18197337 0.93 PNLIP (0.36) MAOBCNR2CNR1
SCHEMBL20175917 0.93 CNR2 (0.41) CNR2CNR1MEN1NPC1KMT2A
SCHEMBL20175919 0.92 MAPT (0.42) CNR2CNR1MEN1NPC1KMT2A
SCHEMBL18197180 0.91 MAPT (0.37) MAOBCNR2MEN1NPC1KMT2A
SCHEMBL18197339 0.91 PDE3B (0.41) CNR2CNR1
SCHEMBL12841233 0.91 OPRK1 (0.36) KDM4E
SCHEMBL15029754 0.91 OPRK1 (0.36) KDM4E
SCHEMBL18189632 0.91 KDM4E (0.36) MAOBMEN1NPC1KMT2AKDM4E
SCHEMBL18189634 0.91 KDM4E (0.36) MAOBMEN1NPC1KMT2AKDM4E

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 MAOB 658/4885CNR2 3585/4885CNR1 3794/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 MAOB 658/4885CNR2 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.