SCHEMBL5723807

SCHEMBL5723807

CC(=O)SC1CN(c2nc(C(=O)NC3CCN(C(=O)OCc4ccc([N+](=O)[O-])cc4)CC3)cs2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.42
ACKR3 P25106 1/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL5723776 0.96 ENPP2 (0.41) ENPP2ACKR3DRD4HSP90AA1HSP90AB1
SCHEMBL5724411 0.96 ENPP2 (0.41) ENPP2ACKR3DRD4HSP90AA1HSP90AB1
SCHEMBL5723837 0.93 CHRM4 (0.37) ENPP2ACKR3MAPTSMN1; SMN2ALDH1A1
SCHEMBL5724248 0.90 ENPP2 (0.45) ENPP2ACKR3HTTMAPTDRD4
SCHEMBL5724325 0.88 MAPT (0.41) HTTMAPTSMN1; SMN2ALDH1A1DPP8
SCHEMBL5724052 0.87 ENPP2 (0.42) ENPP2ACKR3HTTMAPTDRD4
SCHEMBL5723786 0.86 ENPP2 (0.43) ENPP2ACKR3DRD4HSP90AA1HSP90AB1
SCHEMBL5724146 0.86 ENPP2 (0.43) ENPP2ACKR3DRD4HSP90AA1HSP90AB1
SCHEMBL5723581 0.84 DPP8 (0.43) MAPTALDH1A1DPP8DPP9
SCHEMBL5723860 0.84 RAB9A (0.47) HTTMAPTSMN1; SMN2ALDH1A1DPP8

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 2178/4885ACKR3 4262/4885HTT 4456/4885

“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.