SCHEMBL56343

SCHEMBL56343

NC(CCP(=O)(O)OCc1cccc(C(=O)O)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.57
GRM6 O15303 2/20 0.49
MRGPRX4 Q96LA9 7/20 0.47
SLC7A5 Q01650 3/20 0.47
FOLH1 Q04609 1/20 0.47
GRM8 O00222 2/20 0.46
TP53 P04637 2/20 0.45
PKM P14618 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CETP P11597 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
SCHEMBL56061 0.86 GRM4 (0.58) GRM4GRM6FOLH1GRM8CETP
SCHEMBL57177 0.85 SLC7A5 (0.47) GRM4GRM6SLC7A5FOLH1GRM8
SCHEMBL55394 0.83 FOLH1 (0.49) GRM4GRM6FOLH1GRM8CETP
SCHEMBL4084499 0.81 GRM4 (0.67) GRM4GRM6SLC7A5FOLH1GRM8
SCHEMBL56601 0.77 SLC1A5 (0.46) GRM4GRM6FOLH1GRM8RAB9A
SCHEMBL56051 0.77 FOLH1 (0.46) GRM4GRM6FOLH1GRM8CETP
SCHEMBL1456419 0.77 MRGPRX4 (0.56) MRGPRX4FOLH1TP53PKMNFKB1
SCHEMBL57236 0.76 GRM8 (0.62) GRM4GRM6GRM8SMN1; SMN2RAB9A
SCHEMBL25355590 0.76 ANPEP (0.55) GRM4SLC7A5FOLH1
SCHEMBL25355588 0.76 ANPEP (0.55) GRM4SLC7A5FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 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-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 GRM4 4122/4885GRM6 3489/4885MRGPRX4 4061/4885

“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.