SCHEMBL16832656

SCHEMBL16832656

O=C(O)c1cc(C(F)(F)F)nc2cc(Cl)c(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.45
▸ DHODH Q02127 4/20 0.40
▸ IGF1R P08069 3/20 0.40
▸ PTGES O14684 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ EIF4A1 P60842 1/20 0.39
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL16832900 0.90 NT5E (0.42) NT5EDHODHIGF1RPTGESALDH1A1
SCHEMBL16832709 0.83 PTGES (0.58) NT5EDHODHIGF1RPTGESALDH1A1
SCHEMBL16833179 0.83 EIF4A1 (0.40) DHODHALDH1A1EIF4A1KEAP1NFE2L2
SCHEMBL11669211 0.78 DHODH (0.56) NT5EDHODHALDH1A1EIF4A1GAA
SCHEMBL16832701 0.78 ALDH1A1 (0.49) NT5EDHODHALDH1A1HPGDHSD17B10
SCHEMBL16832506 0.78 NT5E (0.39) NT5E
SCHEMBL3041657 0.78 KDM4E (0.57) DHODHIGF1RALDH1A1HPGDHSD17B10
SCHEMBL16832490 0.77 NT5E (0.63) NT5EDHODHALDH1A1HPGDHSD17B10
SCHEMBL16832471 0.77 DHODH (0.45) NT5EDHODHALDH1A1EIF4A1KEAP1
SCHEMBL16833392 0.76 NT5E (0.54) NT5EDHODHALDH1A1HPGDHSD17B10

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 7 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
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 — — US disclosed
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
CN-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 — — CN disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 — — WO 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 NT5E 1658/4885DHODH 699/4885IGF1R 356/4885

“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.

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