SCHEMBL5058014

SCHEMBL5058014

CC(C(Cc1ccncc1)C(=O)O)P(=O)(O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.48
ANPEP P15144 4/20 0.48
ERAP1 Q9NZ08 3/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY5R Q15761 1/20 0.40
ACE P12821 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TBXAS1 P24557 1/20 0.39

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
SCHEMBL5057917 0.77 FOLH1 (0.48) ALDH1A1
SCHEMBL5052918 0.73 SLC1A3 (0.45) ERAP2ANPEPERAP1SLC1A3SLC1A2
SCHEMBL5057989 0.73 ERAP2 (0.62) ERAP2ANPEPERAP1
SCHEMBL8843609 0.73 ERAP2 (0.43) ERAP2ANPEPERAP1ALDH1A1CYP3A4
SCHEMBL7607308 0.73 MAPT (0.44) SMN1; SMN2SLC6A3TBXAS1
SCHEMBL5052951 0.73 MAPT (0.44) SMN1; SMN2SLC6A3TBXAS1
SCHEMBL7614441 0.73 MMP1 (0.41) ERAP2ANPEPERAP1ALDH1A1CYP3A4
SCHEMBL7052531 0.72 CPB2 (0.57) ALDH1A1CYP3A4SLC1A3SLC1A2SLC1A1
SCHEMBL5053041 0.72 GPR132 (0.48) ERAP2ANPEPERAP1ALDH1A1CYP3A4
SCHEMBL5051141 0.72 SRR (0.48) ERAP2ANPEPERAP1ALDH1A1CYP3A4

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 ERAP2 2325/4885ANPEP 136/4885ERAP1 1020/4885

“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.