SCHEMBL31696712

SCHEMBL31696712

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.43
▸ NPY1R P25929 8/20 0.43
▸ NPY5R Q15761 7/20 0.43
▸ NPY2R P49146 5/20 0.43
▸ PTGS1 P23219 1/20 0.41
▸ GSTK1 Q9Y2Q3 1/20 0.41
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ IL23R Q5VWK5 1/20 0.37

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
SCHEMBL30695170 0.94 PTGS1 (0.43) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL30887063 0.92 PTGS1 (0.43) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL14518642 0.91 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL29568701 0.91 PTGS1 (0.43) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL30767724 0.91 PTGS1 (0.43) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL30509913 0.91 PTGS1 (0.43) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL30509912 0.91 PTGS1 (0.43) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL29647783 0.89 PTGS1 (0.40) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL30753507 0.89 PTGS1 (0.40) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL25639021 0.89 PTGS1 (0.40) NPY4RNPY1RNPY5RNPY2RPTGS1

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-20250312495-A1 ORGANOMETALLIC GOLD(III) COMPLEXES FOR RADIOLABELING BIOMOLECULES FOR APPLICATIONS IN POSITRON EMISSION TOMOGRAPHY (PET) MOLECULAR IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-10-09 — — 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-20250312495-A1 ORGANOMETALLIC GOLD(III) COMPLEXES FOR RADIOLABELING BIOMOLECULES FOR APPLICATIONS IN POSITRON EMISSION TOMOGRAPHY (PET) MOLECULAR IMAGING SSTR3, NEU3, IGFBP3 NPY4R 926/4885NPY1R 869/4885NPY5R 1433/4885

“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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