SCHEMBL18189583

SCHEMBL18189583

CC1(C(=O)O)CSC(c2ccc(OCCCCCC(=O)O)cc2O)=N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.44
ALB P02768 1/20 0.43
ALK Q9UM73 1/20 0.40
ALDH2 P05091 8/20 0.40
MAOA P21397 7/20 0.40
MAOB P27338 7/20 0.40
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PDE2A O00408 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
XDH P47989 3/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL18189626 1.00 PDK2 (0.44) PDK2ALBALKALDH2MAOA
SCHEMBL18189625 0.96 PDK2 (0.43) PDK2ALBFFAR1PPARDPDE2A
SCHEMBL18189622 0.96 PDK2 (0.43) PDK2ALBFFAR1PPARDPDE2A
SCHEMBL20175897 0.91 PTPN11 (0.45) PDK2CNR2CNR1
SCHEMBL18189634 0.91 KDM4E (0.36) MAOAMAOBPPARD
SCHEMBL20175900 0.91 PTPN11 (0.45) PDK2CNR2CNR1
SCHEMBL18189636 0.91 PDK2 (0.39) PDK2ALDH2MAOAMAOB
SCHEMBL18189644 0.91 PDK2 (0.39) PDK2ALDH2MAOAMAOB
SCHEMBL18189632 0.91 KDM4E (0.36) MAOAMAOBPPARD
SCHEMBL18189646 0.89 PDK2 (0.47) PDK2ALDH2MAOAMAOBFFAR1

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 4 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
EP-3288557-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF University of Florida Research Foundation, Inc. (US) 2018-03-07 EP 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 PDK2 322/4885ALB 2375/4885ALK 4074/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 PDK2 322/4885ALB 2375/4885ALK 4074/4885

“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.