SCHEMBL3898520

SCHEMBL3898520

C[C@@H](O)[C@H]1C(=O)N(CC(=O)OCOC(=O)C(C)(C)C)[C@@H]1[C@@H](C)C(=S)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
PTGS1 P23219 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ELANE P08246 8/20 0.32
ENO1 P06733 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
FAP Q12884 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3894171 0.90 ELANE (0.34) USP2CYP3A4ELANEADRB3HPGD
SCHEMBL9279337 0.86 PLA2G10 (0.40) POLBELANEHPGD
SCHEMBL9222247 0.86 PLA2G10 (0.40) POLBELANEHPGD
SCHEMBL7809155 0.83 NPSR1 (0.41) CYP3A4CHRM1ELANEADRB2ADRB1
SCHEMBL8826028 0.83 NPSR1 (0.41) CYP3A4CHRM1ELANEADRB2ADRB1
SCHEMBL3896668 0.82 NPSR1 (0.34) ELANEADRB2ADRB1ADRB3HPGD
SCHEMBL9223494 0.78 TDP1 (0.39) ELANE
SCHEMBL9273334 0.78 TDP1 (0.39) ELANE
SCHEMBL9663985 0.74 NPSR1 (0.35)
SCHEMBL7756429 0.73 MEN1 (0.35) POLBELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538212-B2 Intermediate for carbapenem compound for oral administration and process for producing the same KANEKA CORPORATION (JP) 2009-05-26 US disclosed
US-20060252929-A1 Novel intermediate for carbapenem compound for oral administration and process for producing the same KANEKA CORPORATION (JP) 2006-11-09 US disclosed
EP-1582526-A1 NOVEL INTERMEDIATE FOR CARBAPENEM COMPOUND FOR ORAL ADMINISTRATION AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 2005-10-05 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-20060252929-A1 Novel intermediate for carbapenem compound for oral administration and process for producing the same B2M, MGAM, PKM USP2 2578/4885CYP3A4 15/4885CHRM1 965/4885

“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.