SCHEMBL5669276

SCHEMBL5669276

CN1C[C@@H](S)C[C@H]1C(=O)N1CC[C@H](NC(=O)CNC(=N)NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.39
EPHX2 P34913 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
TPSAB1 Q15661 2/20 0.37
TPSD1 Q9BZJ3 2/20 0.37
TPSG1 Q9NRR2 2/20 0.37
SIGMAR1 Q99720 2/20 0.35
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 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
SCHEMBL5669430 0.90 CCR2 (0.38) CCR2EPHX2DPP8DPP9TPSAB1
SCHEMBL8102807 0.89 CCR2 (0.38) CCR2EPHX2DPP8DPP9TPSAB1
SCHEMBL8102812 0.89 CCR2 (0.38) CCR2EPHX2DPP8DPP9TPSAB1
SCHEMBL8435984 0.88 HSD11B1 (0.44) EPHX2DPP8DPP9SIGMAR1HSD11B1
SCHEMBL8435987 0.88 HSD11B1 (0.44) EPHX2DPP8DPP9SIGMAR1HSD11B1
SCHEMBL8440242 0.84 ALDH1A1 (0.37) EPHX2DPP8DPP9SIGMAR1ALDH1A1
SCHEMBL7454149 0.83 DPP8 (0.37) CCR2EPHX2DPP8DPP9TPSAB1
SCHEMBL5669278 0.82 SIGMAR1 (0.35) CCR2EPHX2DPP8DPP9SIGMAR1
SCHEMBL8576939 0.81 HSD11B1 (0.45) CCR2EPHX2DPP8DPP9SIGMAR1
SCHEMBL8435893 0.81 DPP8 (0.41) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041660-B2 Crystalline 1-methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2006-05-09 US disclosed
US-6924279-B2 Crystalline 1-methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2005-08-02 US disclosed
US-20040132668-A1 Crystalline 1-methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-20030232803-A1 Crystalline 1-methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-18 US disclosed
US-20030158174-A1 Crystalline 1-methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2003-08-21 US disclosed
US-20020128254-A1 Crystalline 1-methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2002-09-12 US disclosed
EP-1193269-A1 CRYSTALLINE 1-METHYLCARBAPENEM COMPOUNDS Sankyo Company, Limited (JP) 2002-04-03 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 (4 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-20030158174-A1 Crystalline 1-methylcarbapenem derivatives MGAM, CYP51A1, MRPL21 CCR2 2625/4885EPHX2 4416/4885DPP8 2746/4885
US-20030232803-A1 Crystalline 1-methylcarbapenem derivatives MGAM, CYP51A1, MRPL21 CCR2 2625/4885EPHX2 4416/4885DPP8 2746/4885
US-20020128254-A1 Crystalline 1-methylcarbapenem derivatives MGAM, CYP51A1, MRPL21 CCR2 2625/4885EPHX2 4416/4885DPP8 2746/4885
US-20040132668-A1 Crystalline 1-methylcarbapenem derivatives MGAM, CYP51A1, MRPL21 CCR2 2625/4885EPHX2 4416/4885DPP8 2746/4885

“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.