SCHEMBL5053100

SCHEMBL5053100

CCCCCC(C(CCC(=O)O)C(=O)O)P(=O)(O)C(C)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.46
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5054564 0.88 TBXAS1 (0.47) TBXAS1GRM8GRM4LMNAPOLB
SCHEMBL5053105 0.79 TBXAS1 (0.46) TBXAS1
SCHEMBL5054566 0.77 TBXAS1 (0.49) TBXAS1
SCHEMBL5052928 0.77 GGH (0.40)
SCHEMBL7651193 0.75 GRM8 (0.47) TBXAS1GRM8GRM4LMNA
SCHEMBL5051209 0.74 TBXAS1 (0.43) TBXAS1GRM8GRM4LMNA
SCHEMBL5053484 0.73 HDAC3 (0.44) POLB
SCHEMBL5054578 0.73 GGH (0.40) TBXAS1GRM8GRM4
SCHEMBL5052905 0.73 GRM8 (0.47) TBXAS1GRM8GRM4
SCHEMBL5054547 0.72 GGH (0.44) POLB

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 TBXAS1 1581/4885GRM8 2890/4885GRM4 3118/4885

“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.