SCHEMBL16020785

SCHEMBL16020785

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.42
▸ CALCRL Q16602 3/20 0.41
▸ NMUR2 Q9GZQ4 3/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ F2 P00734 2/20 0.41
▸ NMUR1 Q9HB89 2/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ ACE P12821 2/20 0.40
▸ REN P00797 1/20 0.40
▸ CMA1 P23946 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ CTSD P07339 2/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ AKT1 P31749 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
SCHEMBL16018483 0.92 XIAP (0.42) XIAPCALCRLNMUR2NPY1RF2
SCHEMBL17365609 0.86 NMUR2 (0.44) CALCRLNMUR2NPY1RNMUR1PRMT5
SCHEMBL9068934 0.83 CALCRL (0.52) CALCRLNMUR2PRMT5WDR77
SCHEMBL6524705 0.82 BACE1 (0.48) XIAPCALCRLNMUR2RENCMA1
SCHEMBL9082723 0.82 CALCRL (0.55) CALCRLNMUR2PRMT5WDR77CASP3
SCHEMBL31497328 0.82 KEAP1 (0.52) CALCRLNMUR2PRMT5WDR77
SCHEMBL7401470 0.81 CALCRL (0.48) CALCRLF2CMA1CASP3CASP2
SCHEMBL7728874 0.81 KEAP1 (0.43) CALCRLNMUR2NPY1RF2
SCHEMBL31497340 0.80 KEAP1 (0.54) CALCRLNMUR2NMUR1PRMT5WDR77
SCHEMBL7400113 0.80 CALCRL (0.51) CALCRLF2PRMT5WDR77CMA1

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 2440/4885CALCRL 224/4885NMUR2 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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