SCHEMBL23436487

SCHEMBL23436487

C[C@H](NC(=O)CCN1C(=O)C=CC1O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 4/20 0.33
▸ NPY1R P25929 3/20 0.33
▸ NPY4R P50391 3/20 0.33
▸ C3AR1 Q16581 1/20 0.31
▸ NPY2R P49146 1/20 0.30
▸ SHMT1 P34896 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
SCHEMBL22267887 0.87 CASP1 (0.33) NPY5RNPY1RNPY4RNPY2R
SCHEMBL20935177 0.86 NPY5R (0.35) NPY5RNPY1RNPY4RC3AR1NPY2R
SCHEMBL23353440 0.85 NMT1 (0.39) NPY5RNPY1RNPY4RNPY2R
SCHEMBL20864130 0.84 SIRT2 (0.35) NPY5RNPY1RNPY4RNPY2R
SCHEMBL22841086 0.82 NPY5R (0.37) NPY5RNPY1RNPY4RC3AR1NPY2R
SCHEMBL19681474 0.82 NPY5R (0.39) NPY5RNPY1RNPY4RC3AR1NPY2R
SCHEMBL22100772 0.81 SIRT2 (0.36) NPY5RNPY1RNPY4RNPY2R
SCHEMBL18911086 0.80 KISS1R (0.34) NPY5RNPY1RNPY4RC3AR1NPY2R
SCHEMBL20935183 0.78 NPY4R (0.36) NPY5RNPY1RNPY4RC3AR1NPY2R
SCHEMBL20340671 0.78 SIRT2 (0.36) NPY5RNPY1RNPY4RNPY2R

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-20210163620-A1 TRISPECIFIC BINDING MOLECULES AGAINST CANCERS AND USES THEREOF NOVARTIS AG (CH) 2021-06-03 — — 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-20210163620-A1 TRISPECIFIC BINDING MOLECULES AGAINST CANCERS AND USES THEREOF CD2, CD4, CD22 NPY5R 3882/4885NPY1R 3926/4885NPY4R 4256/4885

“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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