SCHEMBL4869117

SCHEMBL4869117

CC(CCc1ccccc1)CCC(O)([PH2]=O)C(CCC(N)=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
IL1RN P18510 2/20 0.33
ERAP2 Q6P179 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
LMNA P02545 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
SCHEMBL4874787 0.86 GRIK1 (0.39) SMN1; SMN2KMT2AMAPK1LMNA
SCHEMBL4865809 0.85 MAPT (0.39) SMN1; SMN2MAPK1LMNA
SCHEMBL4869123 0.82 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL4870216 0.80 BLM (0.42) KMT2AMEN1CYP3A4LMNA
SCHEMBL4872953 0.79 ALOX15 (0.31) KMT2A
SCHEMBL6682067 0.74 GGPS1 (0.45) KMT2A
SCHEMBL4875393 0.73 ALOX15 (0.37) KMT2A
SCHEMBL4868966 0.72 KMT2A (0.43) KMT2AMAPK1CYP2C19
SCHEMBL4871616 0.71 SLC1A3 (0.39) CYP1A2
SCHEMBL4873560 0.71 ALOX15 (0.33) KMT2A

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 3 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

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 2006/4885SMN1; SMN2 3617/4885ALDH1A1 1539/4885

“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.