SCHEMBL2861339

SCHEMBL2861339

O=C(O)CCCCN(C(=O)OCCCCCc1nnn[nH]1)c1ccc2nc(S)sc2c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.32
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
P2RY12 Q9H244 2/20 0.32
TMPRSS15 P98073 1/20 0.30
LTB4R Q15722 1/20 0.30
TBXAS1 P24557 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL2856847 0.88 PDE3B (0.35) PDE3BPDE3AP2RY12LTB4RLMNA
SCHEMBL2863664 0.88 LTB4R (0.36) PDE2APDE3BPDE3AP2RY12TMPRSS15
SCHEMBL2856658 0.86 TSHR (0.30)
SCHEMBL2862187 0.85 PDE2A (0.32) PDE2APDE3BPDE3AP2RY12TBXAS1
SCHEMBL2857704 0.85 PDE3B (0.37) PDE2APDE3BPDE3AP2RY12TMPRSS15
SCHEMBL3403737 0.85 PDE2A (0.30) PDE2APDE3BPDE3AP2RY12TBXAS1
SCHEMBL2867351 0.85
SCHEMBL2860574 0.83 TSHR (0.31)
SCHEMBL3427272 0.80 MLYCD (0.36) PDE2APDE3BPDE3AP2RY12LTB4R
SCHEMBL2860862 0.79 LTB4R (0.36) PDE2APDE3BPDE3AP2RY12TMPRSS15

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 5 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-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US 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.