SCHEMBL22668930

SCHEMBL22668930

CSC(C)C(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.35
▸ NPY5R Q15761 4/20 0.34
▸ NPY4R P50391 4/20 0.34
▸ NPY1R P25929 3/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ PTGS1 P23219 4/20 0.34
▸ PTGS2 P35354 4/20 0.34
▸ NMT2 O60551 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ FNTA P49354 2/20 0.33
▸ FNTB P49356 2/20 0.33
▸ TLR2 O60603 1/20 0.32
▸ FURIN P09958 1/20 0.32
▸ PGGT1B P53609 1/20 0.31

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
SCHEMBL23420959 0.92 FAP (0.37) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL20887736 0.92 FAP (0.37) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL27421373 0.91 FAP (0.36) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL29308956 0.89 NPY5R (0.40) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL29647873 0.89 FAP (0.38) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL22134344 0.88 C3AR1 (0.40) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL19257624 0.88 NPY5R (0.38) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL13078356 0.88 NPY5R (0.38) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL23256221 0.88 NPY5R (0.38) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL2801888 0.88 C3AR1 (0.40) FAPNPY5RNPY4RNPY1RNPY2R

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-20200362054-A1 TRISPECIFIC BINDING MOLECULES AGAINST TUMOR-ASSOCIATED ANTIGENTS AND USE THEREOF NOVARTIS AG (CH) 2020-11-19 — — 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-20200362054-A1 TRISPECIFIC BINDING MOLECULES AGAINST TUMOR-ASSOCIATED ANTIGENTS AND USE THEREOF CD2, CD2BP2, CD22 FAP 550/4885NPY5R 4544/4885NPY4R 4500/4885

“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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