SCHEMBL3487994

SCHEMBL3487994

COc1ccc(F)c(Oc2ccc(N)c(CNC(=O)O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GCK P35557 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
CHRM4 P08173 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL3487252 0.89 GCK (0.41) GCKTP53MAPT
SCHEMBL3487536 0.88 GCK (0.42) GCK
SCHEMBL20957057 0.86 HSD17B10 (0.46) ALDH1A1TSHRNPSR1GAAPKM
SCHEMBL3487657 0.84 GCK (0.50) GCKPKMHTT
SCHEMBL3488380 0.84 RAF1 (0.44) ALDH1A1HTTTP53MAPT
SCHEMBL3487614 0.83 SMN1; SMN2 (0.52) ALDH1A1HPGD
SCHEMBL3487565 0.83 HTR2A (0.46) GCKCHRM4
SCHEMBL3488807 0.83 SLC1A3 (0.45) GCKCHRM4
SCHEMBL3487235 0.82 PPARG (0.39) GCKTP53MAPT
SCHEMBL3488407 0.82 EGLN1 (0.39) ALDH1A1GCKTP53MAPTCHRM4

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 ALDH1A1 698/4885TSHR 276/4885NPSR1 1128/4885

“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.