SCHEMBL16018483

SCHEMBL16018483

CC[C@H](CC(=O)[C@H](CC(N)=O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NMUR2 Q9GZQ4 4/20 0.41
▸ F2 P00734 2/20 0.40
▸ CALCRL Q16602 2/20 0.40
▸ NMUR1 Q9HB89 3/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ NTSR2 O95665 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ AKT1 P31749 2/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ ACE P12821 2/20 0.38
▸ REN P00797 1/20 0.38

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
SCHEMBL16020785 0.92 XIAP (0.42) XIAPNPY1RNMUR2F2CALCRL
SCHEMBL17365609 0.83 NMUR2 (0.44) NPY1RNMUR2CALCRLNMUR1PRMT5
SCHEMBL9068934 0.82 CALCRL (0.52) NMUR2CALCRLPRMT5WDR77
SCHEMBL31497328 0.81 KEAP1 (0.52) NMUR2CALCRLPRMT5WDR77
SCHEMBL7401470 0.80 CALCRL (0.48) F2CALCRLCMA1
SCHEMBL7728874 0.80 KEAP1 (0.43) NPY1RNMUR2F2CALCRL
SCHEMBL6524705 0.80 BACE1 (0.48) XIAPNMUR2CALCRLNTSR2NTSR1
SCHEMBL31497340 0.79 KEAP1 (0.54) NMUR2CALCRLNMUR1PRMT5WDR77
SCHEMBL9082723 0.79 CALCRL (0.55) NMUR2CALCRLPRMT5WDR77
SCHEMBL7735845 0.78 CALCRL (0.45) CALCRLPRMT5WDR77CMA1ACE

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-20140256630-A1 VEGF-SPECIFIC CAPTURE AGENTS, COMPOSITIONS, AND METHODS OF USING AND MAKING INDI MOLECULAR, INC. (US) 2014-09-11 — — 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-20140256630-A1 VEGF-SPECIFIC CAPTURE AGENTS, COMPOSITIONS, AND METHODS OF USING AND MAKING FLT4, FLT1, KDR XIAP 2440/4885NPY1R 2534/4885NMUR2 3590/4885

“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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