SCHEMBL12433112

SCHEMBL12433112

O=c1[nH]c2ccncc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.59
PDE3A Q14432 8/20 0.59
CMA1 P23946 1/20 0.47
DAO P14920 3/20 0.43
CYP2A6 P11509 1/20 0.41
PARP1 P09874 1/20 0.41
PGR P06401 1/20 0.40
KDM5A P29375 1/20 0.40
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
RET P07949 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
FLT1 P17948 1/20 0.39

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
SCHEMBL3851704 0.84 PDE3B (0.57) PDE3BPDE3ACMA1DAOCYP2A6
SCHEMBL1002453 0.76 PSMB8 (0.53) PDE3BPDE3ADAOCYP2A6
SCHEMBL26463638 0.73 PDE3B (0.62) PDE3BPDE3APGRABL1CLK2
SCHEMBL6909727 0.73 PDE3B (0.68) PDE3BPDE3ACYP2A6PGRFGFR1
SCHEMBL10338441 0.71 PDE3B (0.60) PDE3BPDE3A
SCHEMBL29667911 0.70 CMA1 (0.59) PDE3BPDE3ACMA1PGR
SCHEMBL83411 0.70 CMA1 (0.59) PDE3BPDE3ACMA1PGR
SCHEMBL19153837 0.69 CMA1 (0.44) PDE3BPDE3ACMA1PGR
Bromide SCHEMBL9589695 0.68 CMA1 (0.57) PDE3BPDE3ACMA1PGR
Hydrochloric Acid SCHEMBL4566776 0.68 CMA1 (0.57) PDE3BPDE3ACMA1PGR

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-8957219-B2 Acetic acid amide derivative having inhibitory activity on endothelial lipase SHIONOGI & CO., LTD. (JP) 2015-02-17 US disclosed
EP-2351744-B1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON VASCULAR ENDOTHELIAL LIPASE SHIONOGI & CO (JP) 2015-01-07 EP disclosed
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2014-09-25 US disclosed
EP-2351744-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON VASCULAR ENDOTHELIAL LIPASE Shionogi & Co., Ltd. (JP) 2011-08-03 EP 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 (1 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-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, FFAR3 PDE3B 355/4885PDE3A 447/4885CMA1 163/4885

“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.