SCHEMBL2886197

SCHEMBL2886197

COC(=O)C(C)OC(=O)CC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.52
GAA P10253 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.37
CA14 Q9ULX7 2/20 0.34
TSHR P16473 4/20 0.33
CA12 O43570 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KLK7 P49862 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TET2 Q6N021 1/20 0.30

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
SCHEMBL2896443 1.00 MGAM (0.52) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL2886194 1.00 MGAM (0.52) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL16759683 0.85 MGAM (0.44) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL16759680 0.85 MGAM (0.44) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL16759881 0.85 MGAM (0.44) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL8841234 0.83 SMN1; SMN2 (0.34) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL16760579 0.83 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16760581 0.83 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18135603 0.82 MGAM (0.50) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL10625488 0.80 MGAM (0.48) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546113-B1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES BAYER IP GMBH (DE) 2013-05-01 EP disclosed
US-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 US disclosed
EP-1537081-B1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-10-15 EP disclosed
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
US-4551467-A Vasodilating cyanoalkyl esters of 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1985-11-05 US 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 (3 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 MGAM 3719/4885GAA 2947/4885SI 4374/4885
US-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes PTGIS, PTGIR, FPR1 MGAM 4680/4885GAA 3327/4885SI 4226/4885
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors SERPINB1, ELANE, MPO MGAM 1663/4885GAA 394/4885SI 2573/4885

“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.