SCHEMBL14228397

SCHEMBL14228397

CCC(C)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 10/20 0.35
▸ NPY1R P25929 7/20 0.35
▸ NPY2R P49146 5/20 0.35
▸ NPY5R Q15761 5/20 0.35
▸ FOLH1 Q04609 3/20 0.35
▸ NOD1 Q9Y239 2/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL19090970 1.00 NPY4R (0.35) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL19227057 0.88 NPY4R (0.37) NPY4RNPY1RNPY2RNPY5RALOX15
SCHEMBL19386721 0.87 NPY4R (0.36) NPY4RNPY1RNPY2RNPY5RALOX15
SCHEMBL20988216 0.87 NOD1 (0.35) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL9298017 0.86 NPY4R (0.36) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL14199839 0.86 NPY4R (0.36) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL28573562 0.85 NOD1 (0.34) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL4572695 0.85 FOLH1 (0.36) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL4782556 0.85 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL30493180 0.85 FOLH1 (0.36) NPY4RNPY1RNPY2RNPY5RFOLH1

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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 — — 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 NPY4R 1297/4885NPY1R 599/4885NPY2R 394/4885

“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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