SCHEMBL3487538

SCHEMBL3487538

CN(C(=O)O)c1cc(Oc2cc(F)ccc2F)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.39
HIF1A Q16665 1/20 0.38
PPARG P37231 1/20 0.37
KEAP1 Q14145 1/20 0.37
TSPO P30536 4/20 0.36
PARP10 Q53GL7 1/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 2/20 0.35
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HSPB1 P04792 1/20 0.34
BRAF P15056 1/20 0.34
HDAC1 Q13547 1/20 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
SCHEMBL3487995 0.89 ALDH1A1 (0.40) GCKTSPOLPAR1LPAR5
SCHEMBL3487044 0.89 SLC6A4 (0.38) GCKPPARGKEAP1TSPOHTR2A
SCHEMBL3487253 0.89 PPARG (0.38) GCKPPARGSLC6A4BACE1
SCHEMBL3487661 0.89 PARP10 (0.48) GCKTSPOPARP10LPAR1LPAR5
SCHEMBL3487248 0.88 CARM1 (0.40) PPARGKEAP1TSPOHTR2ASLC6A4
SCHEMBL3488333 0.85 BRAF (0.44) GCKHIF1AKEAP1HSPB1BRAF
SCHEMBL3488808 0.84 SOS1 (0.42) HIF1APPARGHTR2ASLC6A4BRAF
SCHEMBL3487567 0.82 CHEK2 (0.39) GCKPPARGHTR2ASLC6A4KCNH2
SCHEMBL3488271 0.82 VEGFA (0.40) GCKHIF1APPARGKEAP1BRAF
SCHEMBL3487238 0.81 PPARG (0.38) GCKPPARGHTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2138484-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-30 EP 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-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA GCK 150/4885HIF1A 3177/4885PPARG 1/4885

“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.