SCHEMBL4868908

SCHEMBL4868908

NC(=O)CCC(C(=O)O)C(O)(C/C=C/c1ccccc1)[PH2]=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.38
GRIK2 Q13002 2/20 0.38
PAM P19021 1/20 0.37
HTR2A P28223 3/20 0.35
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL4868913 1.00 GRIK1 (0.38) GRIK1GRIK2PAMHTR2ACYP2C19
SCHEMBL4868911 0.81 GRIK1 (0.38) GRIK1GRIK2PAMHTR2AKMT2A
SCHEMBL3514736 0.76 ALOX15 (0.37) KMT2A
SCHEMBL4874787 0.74 GRIK1 (0.39) GRIK1NPC1KMT2A
SCHEMBL4865809 0.73 MAPT (0.39) GRIK1
SCHEMBL4869117 0.73 TSHR (0.36) CYP2C19TSHRKMT2A
SCHEMBL4868966 0.72 KMT2A (0.43) CYP2C19KMT2AMMP9
SCHEMBL4871616 0.71 SLC1A3 (0.39)
SCHEMBL6682067 0.71 GGPS1 (0.45) KMT2AMMP9
SCHEMBL4874127 0.71 KMT2A (0.31) KMT2AMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402576-B2 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2008-07-22 US disclosed
EP-1599487-B1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2007-07-11 EP disclosed
US-20060052616-A1 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2006-03-09 US disclosed
EP-1599487-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE Givaudan SA (CH) 2005-11-30 EP disclosed
WO-2004043971-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2004-05-27 WO 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-20060052616-A1 Phosphinic acid analogs of glutamate GLUL, GRIA1, GRM1 GRIK1 22/4885GRIK2 58/4885PAM 1031/4885

“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.