SCHEMBL2860862

SCHEMBL2860862

CC(C)CN(C(=O)OCCCCCC(=O)O)c1ccc2nc(S)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 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
DPP4 P27487 4/20 0.33
TMPRSS15 P98073 1/20 0.32
LDHA P00338 1/20 0.32
EPHX2 P34913 2/20 0.32
TSHR P16473 1/20 0.32
PDE2A O00408 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 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
SCHEMBL2863664 0.89 LTB4R (0.36) LTB4RNPC1MITFPOLBAPEX1
SCHEMBL2866033 0.87 NPC1 (0.36) LTB4RNPC1MITFPOLBAPEX1
SCHEMBL2862871 0.83 HDAC1 (0.36) LTB4RNPC1MITFPOLBAPEX1
SCHEMBL2867273 0.83 QPCT (0.39) NPC1MITFPOLBAPEX1RAB9A
SCHEMBL2856658 0.83 TSHR (0.30) TSHR
SCHEMBL3404088 0.82 DPP4 (0.32) LTB4RDPP4PDE2APDE3BPDE3A
SCHEMBL2869166 0.81 EPHX2 (0.37) NPC1POLBRAB9ATDP1EPHX2
SCHEMBL2861339 0.79 PDE2A (0.32) LTB4RTMPRSS15PDE2APDE3BPDE3A
SCHEMBL2866853 0.77 MAPT (0.36) NPC1RAB9ATDP1EPHX2
SCHEMBL2863746 0.76 EPHX2 (0.40) POLBTDP1EPHX2

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 4058/4885NPC1 833/4885MITF 1358/4885

“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.