SCHEMBL5053293

SCHEMBL5053293

CCCCCCC(C(CCc1ccsc1)C(=O)O)P(=O)(O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.41
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
S1PR1 P21453 3/20 0.36
ENPP2 Q13822 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
CSNK1E P49674 1/20 0.36
CNR2 P34972 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
LTB4R Q15722 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
SCHEMBL5053184 0.90 CETP (0.39) CETPPTGESALOX5CSNK1ECNR2
SCHEMBL5060648 0.85 CETP (0.46) CETPPTGESALOX5ENPP2CSNK1E
SCHEMBL5057932 0.83 CETP (0.44) CETPENPP2CSNK1ECNR2
SCHEMBL5053060 0.81 CETP (0.39) CETPS1PR1ENPP2CSNK1ECNR2
SCHEMBL5053178 0.81 FFAR4 (0.43) CETPENPP2
SCHEMBL5051174 0.80 CETP (0.38) CETPENPP2CSNK1ECNR2
SCHEMBL7929239 0.78 CETP (0.42) CETPPTGESALOX5CNR2
SCHEMBL5054584 0.77 FOLH1 (0.39) CETPENPP2CNR2
SCHEMBL5053215 0.76 CETP (0.39) CETPPTGESALOX5S1PR1S1PR4
SCHEMBL5053158 0.75 SLC1A3 (0.37) PTGESALOX5

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 6 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
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 CETP 1402/4885PTGES 4094/4885ALOX5 4088/4885

“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.