SCHEMBL2863725

SCHEMBL2863725

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.36
CA2 P00918 7/20 0.36
PPARA Q07869 2/20 0.35
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
ALOX5 P09917 1/20 0.33
ACP1 P24666 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL2861474 0.88 DYRK1A (0.35) DYRK1ACA2PPARAMAPTNPC1
SCHEMBL2867284 0.87 MAPT (0.41) DYRK1AMAPTNPC1RAB9AATAD2
SCHEMBL2855233 0.86 MAPT (0.45) DYRK1ACA2PPARAMAPTACP1
SCHEMBL3405068 0.84 CA2 (0.31) CA2
SCHEMBL2855117 0.83 CA2 (0.40) DYRK1ACA2MAPTNPC1RAB9A
SCHEMBL2869556 0.81 MAPT (0.40) CA2PPARAMAPTNPC1RAB9A
SCHEMBL2859562 0.81 MAPT (0.34) DYRK1ACA2MAPTHDAC3HDAC4
SCHEMBL2865978 0.81 TMPRSS15 (0.36) DYRK1ACA2NPC1RAB9AACP1
SCHEMBL2862832 0.80 CA2 (0.47) CA2
SCHEMBL2866011 0.80 DYRK1A (0.39) DYRK1ACA2MAPT

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 DYRK1A 1717/4885CA2 297/4885PPARA 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.