SCHEMBL5053274

SCHEMBL5053274

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGH Q92820 1/20 0.49
FOLH1 Q04609 6/20 0.47
CYP1A2 P05177 1/20 0.47
GRM3 Q14832 2/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42

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
SCHEMBL8423560 0.89 FOLH1 (0.47) GGHFOLH1CYP1A2GRM3NAALAD2
SCHEMBL8060052 0.86 FOLH1 (0.53) GGHFOLH1CYP1A2GRM3NAALAD2
SCHEMBL8423424 0.86 FFAR4 (0.42) GGHFOLH1
SCHEMBL7608707 0.81 FOLH1 (0.44) GGHFOLH1CYP1A2GRM3NAALAD2
SCHEMBL7605307 0.80 GABRP (0.47) GGHFOLH1CYP1A2GRM3NAALAD2
SCHEMBL8469639 0.79 CYP1A2 (0.50) GGHFOLH1CYP1A2GRM3NAALAD2
SCHEMBL8048482 0.79 FOLH1 (0.42) GGHFOLH1CYP1A2GRM3NAALAD2
SCHEMBL7609969 0.76 FOLH1 (0.40) GGHFOLH1CYP1A2GRM3NAALAD2
SCHEMBL19442746 0.75 CYP1A2 (0.54) FOLH1CYP1A2GRM3NAALAD2GABRP
SCHEMBL8063538 0.75 FOLH1 (0.39) GGHFOLH1CYP1A2GRM3NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514185-A 2002-05-14 JP claimed
EP-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 EP claimed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP claimed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP claimed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 WO claimed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 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 1/4885CYP1A2 4283/4885

“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.