SCHEMBL5053085

SCHEMBL5053085

CCC(C(C(=O)O)c1ccccc1)P(=O)(O)CCc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.42
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
MTNR1A P48039 2/20 0.39
LMNA P02545 1/20 0.38
CTNNB1 P35222 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CMA1 P23946 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CDYL Q9Y232 1/20 0.37
CYP2D6 P10635 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
SCHEMBL5051076 0.82 KMT2A (0.38) ACP3GRM8GRM4KMT2AKDM4E
SCHEMBL5053183 0.81 CYP2D6 (0.56) ACP3GRM8GRM4ALDH1A1CYP2D6
SCHEMBL5054531 0.79 ACP3 (0.38) ACP3GRM8GRM4KMT2ATDP1
SCHEMBL5054753 0.76 TDP1 (0.39) ACP3GRM8GRM4KMT2ATDP1
SCHEMBL5053080 0.75 ACP3 (0.42) ACP3CMA1ALDH1A1CYP2D6
SCHEMBL5054516 0.73 ACP3 (0.46) ACP3GRM8GRM4TDP1SLC1A3
SCHEMBL5059824 0.73 CYP2D6 (0.46) ACP3CYP2D6
SCHEMBL5057988 0.72 CYP2D6 (0.52) ACP3KMT2ALMNAKDM4EALDH1A1
SCHEMBL5060243 0.72 ACP3 (0.44) ACP3GRM8GRM4KMT2ATDP1
SCHEMBL5059954 0.72 ACP3 (0.44) ACP3GRM8GRM4TDP1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 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 ACP3 36/4885GRM8 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.