SCHEMBL16832379

SCHEMBL16832379

COC(=O)c1cc(C(=O)OC)c2cccc(F)c2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
NQO2 P16083 4/20 0.47
KDM4E B2RXH2 4/20 0.46
GRM2 Q14416 1/20 0.44
PSMD14 O00487 1/20 0.44
AURKA O14965 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
PTGER4 P35408 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PLA2G2A P14555 1/20 0.40

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
SCHEMBL16832388 0.91 GRM2 (0.56) ADORA2ANQO2KDM4EGRM2PSMD14
SCHEMBL2222961 0.86 ADORA2A (0.47) ADORA2ANQO2KDM4EGRM2MAPT
SCHEMBL3281586 0.84 NQO2 (0.47) ADORA2ANQO2KDM4EGRM2MAPT
SCHEMBL2222480 0.84 ADORA2A (0.47) ADORA2ANQO2KDM4EGRM2AURKA
SCHEMBL6590640 0.84 L3MBTL1 (0.51) ADORA2AKDM4EPSMD14AURKAALDH1A1
SCHEMBL16832585 0.83 NQO2 (0.56) NQO2KDM4EPSMD14MAPTALDH1A1
SCHEMBL29087811 0.82 ADORA2A (0.45) ADORA2ANQO2KDM4EGRM2MAPT
SCHEMBL16832166 0.80 NQO2 (0.51) NQO2KDM4EPLA2G2A
SCHEMBL16832920 0.77 NQO2 (0.54) NQO2KDM4EMAPTKMT2A
SCHEMBL22492423 0.77 PSMD14 (0.68) ADORA2AKDM4EPSMD14AURKAMAPT

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
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO 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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 ADORA2A 556/4885NQO2 338/4885KDM4E 3458/4885

“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.