SCHEMBL5051209

SCHEMBL5051209

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.43
GRM8 O00222 1/20 0.42
GRM4 Q14833 1/20 0.42
KCNN4 O15554 2/20 0.35
KCNA5 P22460 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GGH Q92820 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34

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 0.83 TBXAS1 (0.47) TBXAS1GRM8GRM4LMNA
SCHEMBL7616468 0.80 GGH (0.49) TBXAS1GRM8GRM4KCNN4KCNA5
SCHEMBL5053015 0.78 GRM8 (0.46) TBXAS1GRM8GRM4
SCHEMBL7651193 0.77 GRM8 (0.47) TBXAS1GRM8GRM4KCNN4KCNA5
SCHEMBL5057897 0.77 TBXAS1 (0.44) TBXAS1GRM8GRM4KCNN4KCNA5
SCHEMBL5057843 0.74 GGH (0.40) CYP2C19GGH
SCHEMBL5053100 0.74 TBXAS1 (0.46) TBXAS1GRM8GRM4LMNA
SCHEMBL5051343 0.74 GRM8 (0.43) TBXAS1GRM8GRM4KCNN4KCNA5
SCHEMBL5054578 0.73 GGH (0.40) TBXAS1GRM8GRM4KCNN4KCNA5
SCHEMBL5051217 0.72 TBXAS1 (0.53) TBXAS1

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-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US 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.