SCHEMBL4865803

SCHEMBL4865803

NC(=O)CCC(CP(=O)(O)CCCCc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
LAP3 P28838 3/20 0.46
ERAP2 Q6P179 2/20 0.46
ERAP1 Q9NZ08 2/20 0.46
FOLH1 Q04609 2/20 0.46
ANPEP P15144 1/20 0.46
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
GRIK1 P39086 1/20 0.45

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
SCHEMBL4874778 0.96 LAP3 (0.47) TSHRLAP3ERAP2ERAP1FOLH1
SCHEMBL1374317 0.90 FOLH1 (0.57) TSHRFOLH1
SCHEMBL1374848 0.86 FOLH1 (0.59) FOLH1
SCHEMBL10929109 0.85 CPB2 (0.55) TSHRS1PR2S1PR4S1PR1S1PR3
SCHEMBL4869112 0.84 ERAP2 (0.46) LAP3ERAP2ERAP1FOLH1ANPEP
SCHEMBL5053123 0.80 FOLH1 (0.61) FOLH1
SCHEMBL5053269 0.78 CYP1A2 (0.55) FOLH1
SCHEMBL4872905 0.78 FOLH1 (0.50) FOLH1GRIK1
SCHEMBL4869930 0.78 FOLH1 (0.50) FOLH1GRIK1
SCHEMBL4871210 0.78 FOLH1 (0.50) FOLH1GRIK1

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 8 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
US-7402576-B2 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2008-07-22 US disclosed
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
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 TSHR 2006/4885LAP3 3020/4885ERAP2 2679/4885

“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.