SCHEMBL4854525

SCHEMBL4854525

CC(C)(C)COC(=O)NC(Cc1ccc2c(c1)NC(=O)C(CCC(=O)OCc1ccccc1)O2)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
TDO2 P48775 1/20 0.43
ITGB3 P05106 12/20 0.42
ITGA2B P08514 10/20 0.42
ITGAV P06756 3/20 0.42
CTSL P07711 4/20 0.40
CTSK P43235 4/20 0.40
CTSS P25774 3/20 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
SCHEMBL4854521 1.00 IDO1 (0.43) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL4854530 1.00 IDO1 (0.43) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL4686769 0.93 CTSL (0.40) IDO1TDO2CTSLCTSKCTSS
SCHEMBL7166021 0.92 ACE (0.47) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL4852776 0.90 ITGB3 (0.43) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL4853017 0.90 ITGB3 (0.43) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL4680620 0.90 ITGB3 (0.43) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL7169155 0.89 ITGB3 (0.46) IDO1TDO2ITGB3ITGA2BITGAV
SCHEMBL7167643 0.85 ITGB3 (0.42) ITGB3ITGA2BITGAV
SCHEMBL7363235 0.85 KLK5 (0.42) IDO1CTSLCTSKCTSS

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-7371854-B2 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MEREK PATENT GMBH (DE) 2006-06-29 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-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof ITGA1, ITGB1, ITGA2 IDO1 487/4885TDO2 1861/4885ITGB3 8/4885

“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.