SCHEMBL3404443

SCHEMBL3404443

CCN(C(=O)OCCCCCC(=O)O)c1ccc2nc(S)sc2n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.32
PDE2A O00408 3/20 0.31
PDE3B Q13370 3/20 0.31
PDE3A Q14432 3/20 0.31
P2RY12 Q9H244 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
PLA2G4B P0C869 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL3406300 0.91 PDE3B (0.34) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL3404088 0.89 DPP4 (0.32) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL3407657 0.88 PDE3B (0.33) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL3409438 0.86 TDP1 (0.33) TDP1ALDH1A1POLBKDM4ENPC1
SCHEMBL3403724 0.85 PDE2A (0.33) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL3407491 0.80 PDE3B (0.35) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL3409159 0.77 MAOB (0.35) LTB4RPDE3BPDE3AP2RY12TDP1
SCHEMBL3404450 0.74 MEN1 (0.34) MAPTRAB9A
SCHEMBL3403741 0.74 LDHA (0.32) TDP1ALDH1A1POLBNPC1RAB9A
SCHEMBL2863664 0.74 LTB4R (0.36) LTB4RPDE2APDE3BPDE3AP2RY12

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 LTB4R 4058/4885PDE2A 2556/4885PDE3B 1953/4885

“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.