SCHEMBL5052846

SCHEMBL5052846

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GGH Q92820 1/20 0.43
FOLH1 Q04609 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
CPA3 P15088 1/20 0.39

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
SCHEMBL7604513 0.87 GGH (0.42) GGHFOLH1ALDH1A1CYP1A2CYP2D6
SCHEMBL5052928 0.85 GGH (0.40) GGHFOLH1ALDH1A1CYP1A2CYP2D6
SCHEMBL8065615 0.84 FOLH1 (0.41) GGHFOLH1NAALAD2
SCHEMBL5051128 0.83 GGH (0.39) GGHFOLH1ALDH1A1CYP1A2CYP2D6
SCHEMBL7607505 0.79 GGH (0.51) GGHFOLH1ALDH1A1CYP1A2CYP2D6
SCHEMBL5057917 0.77 FOLH1 (0.48) GGHFOLH1ALDH1A1CYP1A2CYP2D6
SCHEMBL8457126 0.77 GGH (0.44) GGHFOLH1ALDH1A1CYP1A2CYP2D6
SCHEMBL7605307 0.75 GABRP (0.47) GGHFOLH1CYP1A2NAALAD2
SCHEMBL5052848 0.75 CYP2D6 (0.48) FOLH1ALDH1A1CYP2D6TSHRCPA3
SCHEMBL5217064 0.75 CYP2D6 (0.57) GGHALDH1A1CYP1A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999033848-B1 PROCESS FOR PREPARING ENANTIOMER-ENRICHED HYDROXYPHOSPHINYL DERIVATIVES GUILFORD PHARM INC (US) 1999-08-12 WO claimed
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
EP-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 EP disclosed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP 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
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 WO 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 GGH 1030/4885FOLH1 1/4885ALDH1A1 257/4885

“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.