SCHEMBL2084570

SCHEMBL2084570

C=CC[C@@]1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.47
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
MME P08473 1/20 0.40
ECE1 P42892 1/20 0.40
PREP P48147 2/20 0.39

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
SCHEMBL12934808 0.90 FAP (0.39) ITGB3ITGA2BPREP
SCHEMBL2082334 0.89 FOLH1 (0.49) FOLH1ITGB3ITGA2B
SCHEMBL8256331 0.87 ITGB3 (0.42) FOLH1ITGB3ITGA2BPREP
SCHEMBL28769352 0.84 FOLH1 (0.51) FOLH1ITGB3ITGA2BMMEECE1
SCHEMBL22964984 0.84 FOLH1 (0.51) FOLH1ITGB3ITGA2BMMEECE1
SCHEMBL24555462 0.84 FOLH1 (0.51) FOLH1ITGB3ITGA2BMMEECE1
SCHEMBL1815135 0.84 FOLH1 (0.51) FOLH1ITGB3ITGA2BMMEECE1
SCHEMBL2084143 0.83 PREP (0.47) PREP
SCHEMBL12934807 0.82 PREP (0.39) ITGB3ITGA2BPREP
SCHEMBL2084495 0.81 PREP (0.45) PREP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863304-B2 Analogs of glycyl-prolyl-glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-01-04 US disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 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-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate GLS, GLUL, HIF1A FOLH1 172/4885ITGB3 4373/4885ITGA2B 4475/4885

“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.