SCHEMBL14945013

SCHEMBL14945013

CCOc1noc(C)c1C[C@H](N)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.78
GRIA3 P42263 4/20 0.78
GRIA2 P42262 3/20 0.78
GRIA4 P48058 3/20 0.78
HIF1A Q16665 1/20 0.51
BLM P54132 1/20 0.51
MAPT P10636 2/20 0.44
GRIK1 P39086 2/20 0.44
GRIK5 Q16478 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIK2 Q13002 1/20 0.44
GRIK3 Q13003 1/20 0.44
GRIK4 Q16099 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
SCHEMBL13957545 1.00 GRIA1 (0.78) GRIA1GRIA3GRIA2GRIA4HIF1A
SCHEMBL2036596 0.87 GRIA1 (1.00) GRIA1GRIA3GRIA2GRIA4HIF1A
SCHEMBL2036595 0.87 GRIA1 (1.00) GRIA1GRIA3GRIA2GRIA4HIF1A
SCHEMBL7159018 0.84 GRIA1 (0.56) GRIA1GRIA3GRIA2GRIA4HIF1A
SCHEMBL7168351 0.84 GRIA1 (0.56) GRIA1GRIA3GRIA2GRIA4HIF1A
SCHEMBL7159013 0.84 GRIA1 (0.56) GRIA1GRIA3GRIA2GRIA4HIF1A
SCHEMBL7167715 0.84 GRIA1 (0.71) GRIA1GRIA3GRIA2GRIA4HIF1A
SCHEMBL7167719 0.84 GRIA1 (0.71) GRIA1GRIA3GRIA2GRIA4HIF1A
SCHEMBL7162885 0.84 GRIA1 (0.56) GRIA1GRIA3GRIA2GRIA4HIF1A
SCHEMBL7162867 0.84 GRIA1 (0.56) GRIA1GRIA3GRIA2GRIA4HIF1A

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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP GRIA1 1644/4885GRIA3 1910/4885GRIA2 1898/4885

“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.