SCHEMBL5051248

SCHEMBL5051248

CCC(C(Cc1cccc2ccccc12)C(=O)O)P(=O)(O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.45
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CTNNB1 P35222 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ECE1 P42892 1/20 0.38

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
SCHEMBL5054249 0.75 FOLH1 (0.46) CPA1
SCHEMBL5053470 0.75 ACP3 (0.40) ACP3MMECTNNB1HRH4KMT2A
SCHEMBL5052918 0.74 SLC1A3 (0.45) ACP3ACE
SCHEMBL7607749 0.73 ACP3 (0.49) ACP3CTNNB1HRH4TDP1
SCHEMBL5053090 0.73 HRH4 (0.54) ACP3MMEACECPA1ACE2
SCHEMBL7408799 0.73 CTNNB1 (0.55) MMEACECPA1ACE2CTNNB1
SCHEMBL7929239 0.73 CETP (0.42) MMEACEKMT2AMEN1ECE1
SCHEMBL5057916 0.73 ALDH1A1 (0.47) KMT2AMEN1TDP1
SCHEMBL5057891 0.73 ACP3 (0.41) ACP3KMT2A
SCHEMBL5052766 0.72 ACE (0.35) ACE

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 3 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
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

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 36/4885MME 942/4885ACE 752/4885

“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.