SCHEMBL2266748

SCHEMBL2266748

N[C@@H](CCC(=O)Oc1ccc(C(=O)O)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 2/20 0.46
GRM4 Q14833 2/20 0.46
LTA4H P09960 5/20 0.45
MAPK1 P28482 1/20 0.43
GRM8 O00222 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GSR P00390 1/20 0.43
CYP1A2 P05177 1/20 0.43
GRIK1 P39086 1/20 0.43
GRM5 P41594 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43

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
SCHEMBL2266753 1.00 GRM6 (0.46) GRM6GRM4LTA4HMAPK1GRM8
SCHEMBL18172341 0.85 KMT2A (0.50) LTA4HHSD17B10KMT2AALDH1A1LMNA
SCHEMBL8064264 0.85 LTA4H (0.55) GRM6GRM4LTA4HGRM8GRIN2D
SCHEMBL1810781 0.85 LTA4H (0.55) GRM6GRM4LTA4HGRM8GRIN2D
SCHEMBL4230862 0.84 SLC1A5 (0.47) GRM6GRM4LTA4HGRM8GRIN2D
SCHEMBL10333334 0.81 LTA4H (0.38) GRM6GRM4LTA4HGRM8GRIN2D
SCHEMBL10425785 0.81 LTA4H (0.38) GRM6GRM4LTA4HGRM8GRIN2D
SCHEMBL8126091 0.81 LTA4H (0.38) GRM6GRM4LTA4HGRM8GRIN2D
SCHEMBL9329038 0.81 LTA4H (0.38) GRM6GRM4LTA4HGRM8GRIN2D
Terephthalic Acid SCHEMBL27564841 0.80 GRM6 (0.69) GRM6GRM4LTA4HGRM8GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2011104266-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-09-01 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 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-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 GRM6 3010/4885GRM4 4187/4885LTA4H 3270/4885

“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.