SCHEMBL16832437

SCHEMBL16832437

O=C(O)c1cc(C(=O)O)c2cc(Cl)cc(Cl)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.49
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
CYP2C9 P11712 2/20 0.44
HPGD P15428 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PTGES O14684 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.44
HIF1A Q16665 1/20 0.44
CASP1 P29466 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IGFBP3 P17936 1/20 0.41
FABP4 P15090 2/20 0.40
FABP5 Q01469 2/20 0.40
FABP3 P05413 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
SCHEMBL16832381 0.89 LMNA (0.43) GPR35AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16832141 0.85 KDM4E (0.45) GPR35CYP2C9HPGDCASP7HSD17B10
SCHEMBL28100406 0.85 NQO2 (0.53) GPR35AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7824925 0.83 AKR1C4 (0.49) GPR35AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15129827 0.79 HAVCR2 (0.50) GPR35HPGDHSD17B10ALDH1A1TSHR
SCHEMBL16833120 0.78 CYP1A2 (0.43) AKR1C4AKR1C3AKR1C2AKR1C1CYP2C9
SCHEMBL1899018 0.77 PPARA (0.64) CYP2C9HPGDCASP7HSD17B10PTGES
SCHEMBL16832546 0.75 GRM2 (0.52) CYP2C9HPGDCASP7HSD17B10PTGES
SCHEMBL16832963 0.75 NQO2 (0.59)
SCHEMBL11668861 0.75 ALDH1A1 (0.65) CYP2C9HPGDCASP7HSD17B10PTGES

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 GPR35 1889/4885AKR1C4 560/4885AKR1C3 570/4885

“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.