SCHEMBL23436443

SCHEMBL23436443

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 3/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ NPY5R Q15761 4/20 0.34
▸ NPY4R P50391 4/20 0.34
▸ NPY1R P25929 3/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ FURIN P09958 4/20 0.33
▸ CTSL P07711 1/20 0.33
▸ PTGS1 P23219 4/20 0.32
▸ PTGS2 P35354 4/20 0.32
▸ NMT2 O60551 1/20 0.32
▸ NMT1 P30419 1/20 0.32

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
SCHEMBL22668644 1.00 FAP (0.34) FAPLTB4RNPY5RNPY4RNPY1R
SCHEMBL18909056 0.92 NPY5R (0.35) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL17722913 0.92 NPY5R (0.37) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL20864068 0.92 NPY5R (0.35) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL22694922 0.91 FAP (0.37) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL22267878 0.91 FAP (0.37) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL18909025 0.91 FAP (0.37) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL20887767 0.90 FURIN (0.35) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL24335031 0.87 FAP (0.34) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL23789219 0.86 FAP (0.44) 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-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 FAP 2120/4885LTB4R 2564/4885NPY5R 3882/4885

“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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