SCHEMBL6723384

SCHEMBL6723384

Cc1ccccc1NC(=O)[C@H](C(C)C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.47
ITGAV P06756 2/20 0.47
ITGB1 P05556 1/20 0.47
ITGA5 P08648 1/20 0.47
PGR P06401 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 5/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6719497 1.00 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5PGR
SCHEMBL6717200 1.00 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5PGR
SCHEMBL6715732 0.86 CYP1A2 (0.49) ITGB3ITGAVITGB1ITGA5PGR
SCHEMBL6716053 0.85 RAB9A (0.46) ITGB3ITGAVITGB1ITGA5PGR
SCHEMBL6716835 0.82 CYP1A2 (0.48) ITGB3ITGAVITGB1ITGA5PGR
SCHEMBL6716842 0.82 CYP1A2 (0.48) ITGB3ITGAVITGB1ITGA5PGR
SCHEMBL6716688 0.81 ANPEP (0.50) ITGB3ITGAVITGB1ITGA5PGR
SCHEMBL6715424 0.80 PDK1 (0.48) ITGB3ITGAVITGB1ITGA5PGR
SCHEMBL6717162 0.78 POLB (0.54) ITGB3ITGAVITGB1ITGA5PGR
SCHEMBL6718764 0.75 KMT2A (0.56) NPSR1

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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 ITGB3 4855/4885ITGAV 4851/4885ITGB1 4647/4885

“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.