SCHEMBL2263229

SCHEMBL2263229

N[C@@H](C[C@H](Cc1ccc2ccccc2c1)C(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 4/20 0.69
SLC1A3 P43003 3/20 0.69
SLC1A2 P43004 3/20 0.69
GRIK1 P39086 2/20 0.59
GRIK2 Q13002 1/20 0.59
GRIK3 Q13003 1/20 0.59
GRM2 Q14416 2/20 0.53
GRM3 Q14832 2/20 0.53
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
SLC7A11 Q9UPY5 1/20 0.48
PTPN1 P18031 1/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
DPP4 P27487 1/20 0.47

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
SCHEMBL29941480 1.00 SLC1A1 (0.69) SLC1A1SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL29401985 0.86 SLC7A5 (0.65) SLC1A1SLC1A3SLC1A2HTR2AHTR2C
SCHEMBL29584308 0.86 SLC7A5 (0.65) SLC1A1SLC1A3SLC1A2HTR2AHTR2C
SCHEMBL29554654 0.86 SLC7A5 (0.65) SLC1A1SLC1A3SLC1A2HTR2AHTR2C
SCHEMBL837890 0.86 SLC7A5 (0.65) SLC1A1SLC1A3SLC1A2HTR2AHTR2C
SCHEMBL93304 0.86 SLC7A5 (0.65) SLC1A1SLC1A3SLC1A2HTR2AHTR2C
SCHEMBL93303 0.86 SLC7A5 (0.65) SLC1A1SLC1A3SLC1A2HTR2AHTR2C
SCHEMBL210104 0.86 SLC7A5 (0.65) SLC1A1SLC1A3SLC1A2HTR2AHTR2C
SCHEMBL29375097 0.86 SLC7A5 (0.65) SLC1A1SLC1A3SLC1A2HTR2AHTR2C
SCHEMBL8872177 0.86 CYP1A2 (0.62) SLC1A1SLC1A3SLC1A2HTR2AHTR2C

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 SLC1A1 4284/4885SLC1A3 4126/4885SLC1A2 4283/4885

“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.