SCHEMBL5205850

SCHEMBL5205850

CCOC(=O)CC(=O)NCCC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
CTSK P43235 1/20 0.41
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 1/20 0.38
MLYCD O95822 2/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10259138 0.89 GAA (0.47) GAAMGAMSIMGAM2CTSK
SCHEMBL3220536 0.86 GAA (0.56) GAAMGAMSIMGAM2CYP2C19
SCHEMBL14498356 0.84 GAA (0.53) GAAMGAMSIMGAM2CTSK
SCHEMBL1709282 0.82 MEN1 (0.48) GAAMLYCDEPHX2MAPTALDH1A1
SCHEMBL947583 0.81 CASP2 (0.48) GAAMLYCDEPHX2SMN1; SMN2
SCHEMBL16761792 0.81 ECE1 (0.41) GAAMLYCDTSHREPHX2MAPT
SCHEMBL15728746 0.81 CTSK (0.50) GAACTSKCYP2C19CYP1A2CYP2C9
SCHEMBL28538717 0.80 EGLN1 (0.47) GAAMGAMSIMGAM2CTSK
SCHEMBL4578241 0.80 MEN1 (0.47) GAAMGAMSIMGAM2CTSK
SCHEMBL1784924 0.79 CTSK (0.51) GAAMGAMSIMGAM2CTSK

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
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 GAA 2947/4885MGAM 3719/4885SI 4374/4885

“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.