SCHEMBL16832900

SCHEMBL16832900

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ DHODH Q02127 2/20 0.39
▸ IGF1R P08069 2/20 0.38
▸ PTGES O14684 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL16832656 0.90 NT5E (0.45) NT5EKEAP1NFE2L2DHODHIGF1R
SCHEMBL16833179 0.88 EIF4A1 (0.40) KEAP1NFE2L2DHODHALDH1A1
SCHEMBL16832506 0.83 NT5E (0.39) NT5E
SCHEMBL16832290 0.81 KDM4E (0.44) KEAP1NFE2L2DHODHPTGESALDH1A1
SCHEMBL16832709 0.79 PTGES (0.58) NT5EDHODHIGF1RPTGESALDH1A1
SCHEMBL11669211 0.78 DHODH (0.56) NT5EDHODHALDH1A1
SCHEMBL16833036 0.77 GRM2 (0.48) KEAP1NFE2L2DHODH
SCHEMBL16832471 0.77 DHODH (0.45) NT5EKEAP1DHODHALDH1A1
SCHEMBL16832701 0.75 ALDH1A1 (0.49) NT5EDHODHALDH1A1HPGDHSD17B10
SCHEMBL3041657 0.74 KDM4E (0.57) DHODHIGF1RALDH1A1HPGDHSD17B10

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 6 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
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 1658/4885KEAP1 384/4885NFE2L2 619/4885

“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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