SCHEMBL5723581

SCHEMBL5723581

CC(=O)SC1CN(c2nc(C(=O)NCCNC(=O)OCc3ccc([N+](=O)[O-])cc3)cs2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
GAA P10253 2/20 0.36
CCR3 P51677 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
TGM2 P21980 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
BMP1 P13497 1/20 0.33

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
SCHEMBL5723844 0.88 DPP8 (0.41) DPP8DPP9GAARAB9AALDH1A1
SCHEMBL5723919 0.88 DPP8 (0.47) DPP8DPP9GAACCR3RAB9A
SCHEMBL5723825 0.87 DPP8 (0.38) DPP8DPP9GAACCR3RAB9A
SCHEMBL5723944 0.87 DPP8 (0.42) DPP8DPP9GAAALDH1A1MAPT
SCHEMBL5723894 0.86 DPP8 (0.41) DPP8DPP9GAACCR3RAB9A
SCHEMBL5723860 0.86 RAB9A (0.47) DPP8DPP9GAACCR3RAB9A
SCHEMBL5723837 0.86 CHRM4 (0.37) DPP8DPP9GAACCR3RAB9A
SCHEMBL5723938 0.85 DPP8 (0.43) DPP8DPP9GAACCR3RAB9A
SCHEMBL5723645 0.85 DPP8 (0.39) DPP8DPP9GAACCR3RAB9A
SCHEMBL5723807 0.84 ENPP2 (0.42) DPP8DPP9ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
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 DPP8 1397/4885DPP9 703/4885GAA 2649/4885

“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.