SCHEMBL5723871

SCHEMBL5723871

CC(=O)SC1CN(c2nc(C(=O)N[C@@H]3CCN(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)co2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.36
HSP90AA1 P07900 5/20 0.36
HSP90AB1 P08238 4/20 0.36
USP30 Q70CQ3 2/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
DRD4 P21917 1/20 0.35
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
PPARG P37231 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 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
SCHEMBL5723917 1.00 ENPP2 (0.36) ENPP2HSP90AA1HSP90AB1USP30MAPT
SCHEMBL5723892 0.90 ENPP2 (0.38) ENPP2HSP90AA1HSP90AB1MAPTDRD4
SCHEMBL5724309 0.90 ENPP2 (0.38) ENPP2HSP90AA1HSP90AB1MAPTDRD4
SCHEMBL5724450 0.87 ENPP2 (0.36) ENPP2HSP90AA1HSP90AB1DRD4EPHX2
SCHEMBL5723836 0.87 ENPP2 (0.36) ENPP2HSP90AA1HSP90AB1DRD4EPHX2
SCHEMBL5724411 0.85 ENPP2 (0.41) ENPP2HSP90AA1HSP90AB1DRD4DPP8
SCHEMBL5723776 0.85 ENPP2 (0.41) ENPP2HSP90AA1HSP90AB1DRD4DPP8
SCHEMBL5723970 0.83 USP30 (0.37) ENPP2HSP90AA1HSP90AB1USP30HTT
SCHEMBL5723743 0.83 USP30 (0.37) ENPP2HSP90AA1HSP90AB1USP30HTT
SCHEMBL5724326 0.83 DPP8 (0.37) MAPTHTTDPP8DPP9ALDH1A1

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
EP-1340757-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2006-10-11 EP disclosed
US-7001897-B2 1-methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2006-02-21 US disclosed
US-20040014962-A1 1-Methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-22 US disclosed
EP-1340757-A1 1-METHYLCARBAPENEM DERIVATIVES Sankyo Company, Limited (JP) 2003-09-03 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-20040014962-A1 1-Methylcarbapenem derivatives CD14, CPT1A, ACMSD ENPP2 2178/4885HSP90AA1 343/4885HSP90AB1 308/4885

“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.