SCHEMBL3488035

SCHEMBL3488035

COc1cc(Oc2ccc(N)c(CNC(=O)O)c2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RCE1 Q9Y256 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3488403 0.87 SMN1; SMN2 (0.42) ALDH1A1NPSR1HPGDHTTTP53
SCHEMBL3488380 0.87 RAF1 (0.44) ALDH1A1HTTTP53MAPTKDM4E
SCHEMBL20957057 0.84 HSD17B10 (0.46) ALDH1A1TSHRNPSR1HPGDGAA
SCHEMBL3488354 0.84 MAPK14 (0.46) ALDH1A1HPGDKDM4ERCE1
SCHEMBL3487706 0.84 PPARG (0.41)
SCHEMBL3487614 0.84 SMN1; SMN2 (0.52) ALDH1A1HPGDKDM4E
SCHEMBL3487040 0.83 HTR2A (0.45) HPGDPKMHTT
SCHEMBL3488176 0.83 TEAD4 (0.46) ALDH1A1HTTTP53MAPT
SCHEMBL3489383 0.82 ALDH1A1 (0.42) ALDH1A1TSHRNPSR1TP53MAPT
SCHEMBL3487994 0.82 ALDH1A1 (0.42) ALDH1A1TSHRNPSR1HPGDGAA

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.