SCHEMBL16832709

SCHEMBL16832709

O=C(O)c1cc(C(F)(F)F)nc2ccc(Cl)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ ALOX5 P09917 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ DHODH Q02127 6/20 0.57
▸ NT5E P21589 2/20 0.48
▸ IGF1R P08069 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ F7 P08709 1/20 0.43
▸ F3 P13726 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ ABL1 P00519 1/20 0.43

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
SCHEMBL10018550 0.85 DHODH (0.60) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL16832701 0.83 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10DHODHNT5E
SCHEMBL11669211 0.83 DHODH (0.56) ALDH1A1DHODHNT5EKMT2AGAA
SCHEMBL16832656 0.83 NT5E (0.45) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL16832490 0.82 NT5E (0.63) ALDH1A1HPGDHSD17B10DHODHNT5E
SCHEMBL2709700 0.80 NT5E (0.70) ALDH1A1HPGDHSD17B10DHODHNT5E
SCHEMBL30492143 0.80 NT5E (0.70) ALDH1A1HPGDHSD17B10DHODHNT5E
SCHEMBL11828378 0.80 NT5E (0.51) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL3041657 0.80 KDM4E (0.57) ALDH1A1HPGDHSD17B10DHODHIGF1R
SCHEMBL16832900 0.79 NT5E (0.42) PTGESALDH1A1ALOX5CYP2C9HPGD

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 PTGES 1957/4885ALDH1A1 432/4885ALOX5 2784/4885

“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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