SCHEMBL2863664

SCHEMBL2863664

O=C(O)CCCCCOC(=O)N(CCCCC(=O)O)c1ccc2nc(S)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.36
PDE2A O00408 3/20 0.36
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
P2RY12 Q9H244 1/20 0.36
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TMPRSS15 P98073 2/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LDHA P00338 1/20 0.32
EPHX2 P34913 2/20 0.32
CA1 P00915 2/20 0.32

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
SCHEMBL2860862 0.89 LTB4R (0.36) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL2861339 0.88 PDE2A (0.32) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL2862871 0.88 HDAC1 (0.36) LTB4RNPC1MITFPOLBAPEX1
SCHEMBL2866033 0.85 NPC1 (0.36) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL2860633 0.83 TMPRSS15 (0.38) NPC1MITFPOLBAPEX1RAB9A
SCHEMBL2864220 0.82 PPARD (0.40) POLBTDP1TMPRSS15ALDH1A1SMN1; SMN2
SCHEMBL3427272 0.82 MLYCD (0.36) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL3406300 0.81 PDE3B (0.34) LTB4RPDE2APDE3BPDE3AP2RY12
SCHEMBL2864055 0.81 EPHX2 (0.38) NPC1MITFPOLBAPEX1RAB9A
SCHEMBL2868103 0.80 PPARA (0.40) LTB4RTMPRSS15

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 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.