SCHEMBL18197348

SCHEMBL18197348

CCOC(=O)CCCOc1ccc(C2=N[C@@](C)(C(=O)OCC)CS2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
PDK2 Q15119 2/20 0.45
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
P2RY12 Q9H244 1/20 0.41
ALDH2 P05091 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTPN1 P18031 3/20 0.39
FFAR1 O14842 1/20 0.38
FAAH O00519 2/20 0.37
CNR2 P34972 1/20 0.37
LTA4H P09960 1/20 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
SCHEMBL18197343 0.96 PDK2 (0.45) BRD4PDK2PDE3BPDE3ACYSLTR2
SCHEMBL18189670 0.92 PDK2 (0.47) BRD4PDK2PDE3BPDE3ACYSLTR2
SCHEMBL18189671 0.92 PDK2 (0.47) BRD4PDK2PDE3BPDE3ACYSLTR2
SCHEMBL18197357 0.92 BRD4 (0.40) BRD4PDK2PDE3BPDE3ACYSLTR2
SCHEMBL20175923 0.92 MAPT (0.41) BRD4PDK2CNR2
SCHEMBL20175921 0.89 PTPN11 (0.40) CNR2
SCHEMBL20175912 0.89 PTPN11 (0.40) CNR2
SCHEMBL18197344 0.89 KDM4E (0.46) PDE3BPDE3AP2RY12ALDH2PTPN1
SCHEMBL20176128 0.89 KMT2A (0.40) CNR2
SCHEMBL18197350 0.89 KDM4E (0.38) BRD4PDK2PDE3BPDE3AP2RY12

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