SCHEMBL13893519

SCHEMBL13893519

CCN[C@H](CCCCNC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 11/20 0.40
▸ POLB P06746 1/20 0.39
▸ NOD1 Q9Y239 2/20 0.37
▸ ITGB3 P05106 3/20 0.36
▸ ITGA2B P08514 3/20 0.36
▸ TLR2 O60603 1/20 0.33
▸ GGT1 P19440 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
SCHEMBL13884310 0.84 FOLH1 (0.40) FOLH1POLBNOD1ITGB3ITGA2B
SCHEMBL22803421 0.84 POLB (0.35) FOLH1POLB
SCHEMBL26743889 0.81 FOLH1 (0.43) FOLH1NOD1TLR2GGT1
SCHEMBL14509613 0.80 FOLH1 (0.37) FOLH1POLBITGB3ITGA2B
SCHEMBL19788645 0.80 FOLH1 (0.47) FOLH1ITGB3ITGA2B
SCHEMBL24225804 0.79 FOLH1 (0.42) FOLH1NOD1GGT1
SCHEMBL18253629 0.78 FOLH1 (0.68) FOLH1
SCHEMBL24993609 0.78 FOLH1 (0.43) FOLH1NOD1TLR2
SCHEMBL9912229 0.78 FOLH1 (0.68) FOLH1
SCHEMBL24123152 0.78 FOLH1 (0.68) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 — — 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-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD FOLH1 64/4885POLB 1148/4885NOD1 2170/4885

“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.

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