SCHEMBL2861331

SCHEMBL2861331

CC(C)CN(C(=O)Oc1ccc(C(F)(F)F)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CSNK1D P48730 5/20 0.38
PPARA Q07869 2/20 0.37
DYRK1A Q13627 1/20 0.37
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
EPHX2 P34913 1/20 0.35
CA2 P00918 2/20 0.35
BCHE P06276 1/20 0.34
ACP1 P24666 1/20 0.34
LIPE Q05469 2/20 0.34

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
SCHEMBL2866853 0.88 MAPT (0.36) MAPTPPARAEPHX2CA2
SCHEMBL2863746 0.87 EPHX2 (0.40) MAPTCSNK1DPPARAEPHX2CA2
SCHEMBL2861474 0.87 DYRK1A (0.35) MAPTCSNK1DPPARADYRK1AEPHX2
SCHEMBL2855233 0.85 MAPT (0.45) MAPTCSNK1DPPARADYRK1ACACNA1H
SCHEMBL2859668 0.85 GSK3B (0.37) DYRK1ACACNA1HCACNA1BEPHX2CA2
SCHEMBL2859926 0.84 CA2 (0.45) CA2
SCHEMBL2860683 0.84 MAPT (0.44) MAPTCSNK1DPPARACACNA1HCACNA1B
SCHEMBL2866713 0.83 EPHX2 (0.34) MAPTCSNK1DPPARAEPHX2CA2
SCHEMBL2868103 0.83 PPARA (0.40) MAPTCSNK1DPPARADYRK1ACACNA1H
SCHEMBL543875 0.83 EPHX2 (0.45) MAPTCSNK1DDYRK1AEPHX2ACP1

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 MAPT 3030/4885CSNK1D 1024/4885PPARA 1949/4885

“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.