SCHEMBL3870397

SCHEMBL3870397

C[C@]1(O)CN(C(=O)O)[C@](Cc2ccccc2)(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.36
AMPD2 Q01433 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2816311 1.00 GRIN2B (0.36) GRIN2BAMPD2ALDH1A1HPGDMEN1
SCHEMBL2513097 0.84 MAOA (0.37) AMPD2
SCHEMBL3553240 0.84 MAOA (0.37) AMPD2
SCHEMBL2383272 0.79
SCHEMBL2383275 0.79
SCHEMBL16774797 0.79 OPRM1 (0.39) GRIN2BAMPD2ALDH1A1
SCHEMBL3546573 0.78 ADRB2 (0.39) ALDH1A1
SCHEMBL2819747 0.78 ADRB2 (0.39) ALDH1A1
SCHEMBL443387 0.72
SCHEMBL443388 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638529-B2 anti-bacterial agents; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2009-12-29 US disclosed
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-03-02 US 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-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA GRIN2B 3975/4885AMPD2 623/4885ALDH1A1 1915/4885

“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.