SCHEMBL5172009

SCHEMBL5172009

O=[C]OCc1oc(=O)oc1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
NR4A2 P43354 1/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 1/20 0.32
KCNA3 P22001 1/20 0.31
KMT2A Q03164 5/20 0.31
MEN1 O00255 4/20 0.31
CYP3A4 P08684 4/20 0.31
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPT P10636 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
PTGS1 P23219 1/20 0.31
ABCB1 P08183 3/20 0.31
CYP1B1 Q16678 3/20 0.31
CA12 O43570 2/20 0.31
DDR2 Q16832 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL15161586 0.80 ABCG2 (0.41) ADORA3ABCG2KDM4EGAAKMT2A
SCHEMBL4629962 0.77 KDM4E (0.38) NR4A2KDM4EGAAKMT2AMEN1
SCHEMBL5986734 0.77 KDM4E (0.35) ADORA3ABCG2NR4A2KDM4EGAA
SCHEMBL4629964 0.77 GAA (0.38) ADORA3NR4A2KDM4EGAAKMT2A
SCHEMBL5172022 0.77 DDR2 (0.34) ADORA3ABCG2KDM4EGAAKCNA3
SCHEMBL15159746 0.76 ABCG2 (0.35) ADORA3ABCG2KDM4EGAAKCNA3
SCHEMBL7602386 0.75 ALDH1A1 (0.49) ADORA3NR4A2KDM4EGAAKMT2A
SCHEMBL5492196 0.74 ADORA3 (0.39) ADORA3ABCG2NR4A2KDM4EGAA
SCHEMBL2719464 0.74 TDO2 (0.42) ADORA3NR4A2KDM4EGAAKMT2A
SCHEMBL22356152 0.74 KDM4E (0.44) ADORA3NR4A2KDM4EKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265242-A1 Novel Carbapenem Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-11-15 US disclosed
EP-1785426-A1 NOVEL CARBAPENEM COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-05-16 EP disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP 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-20070265242-A1 Novel Carbapenem Compound C1R, C3AR1, OXA1L ADORA3 1263/4885ABCG2 2416/4885NR4A2 2728/4885

“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.