SCHEMBL18189671

SCHEMBL18189671

CCOC(=O)CCCOc1ccc(C2=NC(C)(C(=O)O)CS2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.47
BRD4 O60885 1/20 0.47
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
P2RY12 Q9H244 1/20 0.41
PTPN1 P18031 1/20 0.41
ALDH2 P05091 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
FAAH O00519 2/20 0.39
LTA4H P09960 4/20 0.39
FFAR1 O14842 1/20 0.38
PLA2G2A P14555 2/20 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
SCHEMBL18189670 1.00 PDK2 (0.47) PDK2BRD4PDE3BPDE3ACYSLTR2
SCHEMBL18189646 0.96 PDK2 (0.47) PDK2BRD4PDE3BPDE3ACYSLTR2
SCHEMBL18189647 0.96 PDK2 (0.47) PDK2BRD4PDE3BPDE3ACYSLTR2
SCHEMBL18197348 0.92 BRD4 (0.47) PDK2BRD4PDE3BPDE3ACYSLTR2
SCHEMBL18189561 0.89 HPGD (0.47) PDE3BPDE3AP2RY12PTPN1ALDH2
SCHEMBL18189559 0.89 HPGD (0.47) PDE3BPDE3AP2RY12PTPN1ALDH2
SCHEMBL18189622 0.89 PDK2 (0.43) PDK2PDE3BPDE3ACYSLTR2CYSLTR1
SCHEMBL18189625 0.89 PDK2 (0.43) PDK2PDE3BPDE3ACYSLTR2CYSLTR1
SCHEMBL20175901 0.89 MEN1 (0.43) PDK2LTA4H
SCHEMBL20164301 0.89 HPGD (0.39) PDK2BRD4PDE3BPDE3AP2RY12

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 322/4885BRD4 4761/4885PDE3B 4363/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 PDK2 322/4885BRD4 4761/4885PDE3B 4363/4885

“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.