SCHEMBL391732

SCHEMBL391732

CC(=O)CC(=O)OC(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ALDH1A1 P00352 1/20 0.45
SLC1A1 P43005 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
FOLH1 Q04609 1/20 0.43
PPARA Q07869 1/20 0.42
TSHR P16473 2/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
MME P08473 1/20 0.41

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
SCHEMBL3736045 0.84 APOBEC3A (0.50) APOBEC3AAPOBEC3GALDH1A1SLC1A1CA1
SCHEMBL7789021 0.84 ALDH1A1 (0.55) APOBEC3AAPOBEC3GALDH1A1SLC1A1CA1
SCHEMBL27350966 0.81 CTSK (0.47) ALDH1A1TSHR
SCHEMBL3736043 0.80 FOLH1 (0.50) APOBEC3AAPOBEC3GALDH1A1SLC1A1CA1
SCHEMBL24827422 0.79 ALDH1A1 (0.57) APOBEC3AAPOBEC3GALDH1A1SLC1A1CA1
SCHEMBL1993041 0.79 ALDH1A1 (0.45) APOBEC3AAPOBEC3GALDH1A1SLC1A1CA1
SCHEMBL10834752 0.79 ALDH1A1 (0.49) APOBEC3AAPOBEC3GALDH1A1SLC1A1CA1
SCHEMBL18605548 0.78 ALDH1A1 (0.57) ALDH1A1
SCHEMBL18528319 0.78 ALDH1A1 (0.57) ALDH1A1
SCHEMBL18618733 0.77 ALDH1A1 (0.52) APOBEC3AAPOBEC3GALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer Pharma AG (DE) 2012-07-25 EP disclosed
EP-1723121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer Pharma AG (DE) 2012-07-25 EP disclosed
US-8101615-B2 Chronic obstructive pulmonary diseases, acute coronary syndrome, acute myocardial infarction, heart failure BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-8101615-B2 Chronic obstructive pulmonary diseases, acute coronary syndrome, acute myocardial infarction, heart failure BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-8101615-B2 Chronic obstructive pulmonary diseases, acute coronary syndrome, acute myocardial infarction, heart failure BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors BAYER HEALTHCARE AG (DE) 2008-03-13 US disclosed
US-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors BAYER HEALTHCARE AG (DE) 2008-03-13 US disclosed
US-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors BAYER HEALTHCARE AG (DE) 2008-03-13 US disclosed
WO-2005082864-A1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 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-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors SERPINB1, ELANE, MPO APOBEC3A 4598/4885APOBEC3G 4472/4885ALDH1A1 527/4885

“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.