SCHEMBL2869166

SCHEMBL2869166

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.37
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
PPARA Q07869 2/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CLK1 P49759 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATAD2 Q6PL18 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
SCHEMBL3405108 0.86 ATM (0.38) EPHX2ATMKDM4EKMT2ATDP1
SCHEMBL2866853 0.84 MAPT (0.36) EPHX2ATMKDM4EKMT2ATDP1
SCHEMBL2863746 0.83 EPHX2 (0.40) EPHX2KMT2ATDP1ALDH1A1PPARA
SCHEMBL2859668 0.81 GSK3B (0.37) EPHX2CA2
SCHEMBL2860862 0.81 LTB4R (0.36) EPHX2TDP1POLBTSHRNPC1
SCHEMBL2861331 0.81 MAPT (0.43) EPHX2PPARACA2MAPT
SCHEMBL2859926 0.80 CA2 (0.45) CA2
SCHEMBL10042986 0.80 EPHX2 (0.54) EPHX2KDM4EKMT2AALDH1A1HPGD
SCHEMBL2866713 0.79 EPHX2 (0.34) EPHX2ATMKDM4EKMT2ATDP1
SCHEMBL2861474 0.78 DYRK1A (0.35) EPHX2KMT2APPARASMN1; SMN2CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723366-B2 Azole compounds as malonyl-CoA decarboxylase inhibitors for treating metabolic diseases CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-25 US disclosed
US-7723366-B2 Azole compounds as malonyl-CoA decarboxylase inhibitors for treating metabolic diseases CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-25 US disclosed
US-7723366-B2 Azole compounds as malonyl-CoA decarboxylase inhibitors for treating metabolic diseases CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-25 US disclosed
EP-1379243-B1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-09-09 EP disclosed
EP-1379243-B1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-09-09 EP disclosed
US-20040082564-A1 Methods for treating metabolic diseases using malonyl-coa decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 US disclosed
EP-1379243-A1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-14 EP disclosed
WO-2002066034-A1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO disclosed

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-20040082564-A1 Methods for treating metabolic diseases using malonyl-coa decarboxylase inhibitors ME1, ME3, ME2 EPHX2 904/4885ATM 2255/4885KDM4E 930/4885

“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.