SCHEMBL3403737

SCHEMBL3403737

O=C(O)CCCCN(C(=O)OCCCCCc1nnn[nH]1)c1ccc2nc(S)sc2n1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 1/20 0.30
TBXAS1 P24557 1/20 0.30

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
SCHEMBL3404926 0.89 TBXAS1 (0.32) PDE2APDE3BPDE3AP2RY12TBXAS1
SCHEMBL3404900 0.88 PDE3B (0.34) PDE3BPDE3AP2RY12
SCHEMBL3406300 0.88 PDE3B (0.34) PDE2APDE3BPDE3AP2RY12
SCHEMBL3405071 0.88
SCHEMBL3405788 0.85 PDE2A (0.30) PDE2APDE3BPDE3AP2RY12TBXAS1
SCHEMBL2861339 0.85 PDE2A (0.32) PDE2APDE3BPDE3AP2RY12TBXAS1
SCHEMBL3407491 0.85 PDE3B (0.35) PDE2APDE3BPDE3AP2RY12
SCHEMBL3406364 0.85
SCHEMBL3405151 0.84
SCHEMBL3405130 0.82

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 PDE2A 2556/4885PDE3B 1953/4885PDE3A 2151/4885

“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.