SCHEMBL5724199

SCHEMBL5724199

O=C(NC1CN(C(=O)c2csc(N3CC(O)C3)n2)C1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
EPHX1 P07099 1/20 0.38
RAB9A P51151 3/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.34
CCR3 P51677 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PLCG1 P19174 1/20 0.33
TGM2 P21980 1/20 0.33
KRAS P01116 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
SCHEMBL5723785 0.90 DPP8 (0.39) DPP8DPP9EPHX1RAB9AGAA
SCHEMBL5723645 0.89 DPP8 (0.39) DPP8DPP9EPHX1RAB9AGAA
SCHEMBL5723847 0.86 DPP8 (0.38) DPP8DPP9RAB9AGAAALDH1A1
SCHEMBL5724020 0.85 MAPT (0.42) DPP8DPP9RAB9AGAAALDH1A1
SCHEMBL5723792 0.84 DPP8 (0.36) DPP8DPP9EPHX1RAB9AGAA
SCHEMBL5724165 0.83 RAB9A (0.49) DPP8DPP9RAB9AGAAALDH1A1
SCHEMBL27577435 0.83 DPP8 (0.40) DPP8DPP9EPHX1RAB9AGAA
SCHEMBL5723919 0.82 DPP8 (0.47) DPP8DPP9RAB9AGAAALDH1A1
SCHEMBL5724146 0.82 ENPP2 (0.43) DPP8DPP9TGM2
SCHEMBL5723786 0.82 ENPP2 (0.43) DPP8DPP9TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1289498-C 1-methylcarbapenem derivatives SANKYO CO (JP) 2006-12-13 CN 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
CN-1486317-A 1-methylcarbapenem derivatives ������������ʽ���� 2004-03-31 CN 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 703/4885EPHX1 1678/4885

“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.