SCHEMBL5053040

SCHEMBL5053040

CCCC(C(CCC(=O)O)C(=O)O)P(=O)(O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.44
DRD2 P14416 2/20 0.43
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ADAMTS4 O75173 1/20 0.37
DRD3 P35462 1/20 0.37
PIN1 Q13526 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 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
SCHEMBL5051244 0.78 CCKBR (0.46) CCKBRDRD2GAAHPGDDRD3
SCHEMBL5060429 0.77 ADAMTS4 (0.38) CCKBRDRD2ADAMTS4DRD3
SCHEMBL5053089 0.76 GRM3 (0.50)
SCHEMBL7605358 0.75 GGH (0.52) CCKBRMTNR1AMTNR1BADAMTS4PIN1
SCHEMBL5053210 0.75 TAS1R3 (0.38)
SCHEMBL5057964 0.75 CCKBR (0.39) CCKBRMTNR1AMTNR1BADAMTS4PIN1
SCHEMBL5053267 0.75 ALDH1A1 (0.40)
SCHEMBL5058025 0.74 FOLH1 (0.41) HDAC3HDAC1HDAC2HDAC8
SCHEMBL5060403 0.74 KMT2A (0.36)
SCHEMBL5051069 0.73 GGH (0.48)

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 CCKBR 487/4885DRD2 4130/4885GAA 77/4885

“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.