SCHEMBL5058019

SCHEMBL5058019

CC(c1cccnc1)P(=O)(O)C(c1ccccc1)C(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.43
KCNN4 O15554 3/20 0.43
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 1/20 0.41
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TBXAS1 P24557 3/20 0.39
SLC1A2 P43004 1/20 0.38

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
SCHEMBL8461518 0.82 KCNA5 (0.47) KCNA5KCNN4GRM8GRM4SMN1; SMN2
SCHEMBL8460054 0.79 GRM8 (0.48) KCNA5KCNN4GRM8GRM4SMN1; SMN2
SCHEMBL8458716 0.77 GRM8 (0.49) KCNA5KCNN4GRM8GRM4SMN1; SMN2
SCHEMBL5052872 0.76 GRM8 (0.48) KCNA5KCNN4GRM8GRM4SMN1; SMN2
SCHEMBL5051343 0.76 GRM8 (0.43) KCNA5KCNN4GRM8GRM4SMN1; SMN2
SCHEMBL5052949 0.74 KCNA5 (0.43) KCNA5KCNN4GRM8GRM4SMN1; SMN2
SCHEMBL5053264 0.74 KCNA5 (0.43) KCNA5KCNN4GRM8GRM4SMN1; SMN2
SCHEMBL12698775 0.74 SMN1; SMN2 (0.50) KCNA5SMN1; SMN2CYP2D6CFTRSLC6A2
SCHEMBL5058022 0.73 ANPEP (0.52) GRM8GRM4SMN1; SMN2CYP2D6KDM4E
SCHEMBL8461516 0.73 CYP2D6 (0.47) KCNA5GRM8GRM4SMN1; SMN2CYP2D6

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-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
US-6025345-A NOVEL PHOSPHONATE DERIVATIVES, HYDROXYPHOSPHINYL DERIVATIVES, AND PHOSPHORAMIDATE DERIVATIVES THAT INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY, GUILFORD PHARMACEUTICALS INC. (US) 2000-02-15 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-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL KCNA5 2769/4885KCNN4 4484/4885GRM8 2890/4885

“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.