SCHEMBL31691747

SCHEMBL31691747

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.45
▸ NPY1R P25929 9/20 0.45
▸ NPY5R Q15761 8/20 0.45
▸ NPY2R P49146 5/20 0.45
▸ NOD1 Q9Y239 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ GLO1 Q04760 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ GSTK1 Q9Y2Q3 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
SCHEMBL31391112 0.94 PTGS1 (0.46) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL31391109 0.92 NPY4R (0.40) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30642367 0.90 PTGS1 (0.46) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL30929978 0.88 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL29696186 0.88 SIRT5 (0.50) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL30148051 0.88 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL29412493 0.88 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL29630450 0.88 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL23286096 0.88 NOD1 (0.50) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL1711608 0.88 NOD1 (0.50) NPY4RNPY1RNPY5RNPY2RNOD1

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-20250302981-A1 NOVEL USE OF ANTICANCER AGENT PRODRUG CONJUGATE UNIVERSITY OF ULSAN FOUNDATION FOR INDUSTRY COOPERATION (KR) 2025-10-02 — — 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-20250302981-A1 NOVEL USE OF ANTICANCER AGENT PRODRUG CONJUGATE KRAS, TP53, NRAS NPY4R 4845/4885NPY1R 4861/4885NPY5R 4862/4885

“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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