SCHEMBL5053344

SCHEMBL5053344

O=C(O)C(Cc1cccnc1)C(c1ccccc1)P(=O)(O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.50
ANPEP P15144 2/20 0.49
ERAP1 Q9NZ08 2/20 0.49
ERAP2 Q6P179 1/20 0.49
CHRM1 P11229 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.42
TBXAS1 P24557 2/20 0.41
GPR132 Q9UNW8 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8843310 0.77 FDPS (0.61) FDPSANPEPERAP1ERAP2KDM4E
SCHEMBL5060196 0.76 CPA3 (0.44)
SCHEMBL5134132 0.74 ANPEP (0.44) ANPEPERAP1ERAP2LMNAHTT
SCHEMBL5060253 0.74 GRM8 (0.46) FDPSANPEPERAP1ERAP2LMNA
SCHEMBL5051056 0.73 ANPEP (0.61) FDPSANPEPERAP1ERAP2KDM4E
SCHEMBL5058022 0.73 ANPEP (0.52) FDPSANPEPERAP1ERAP2LMNA
SCHEMBL5051278 0.73 ANPEP (0.52) FDPSANPEPERAP1ERAP2LMNA
SCHEMBL7830186 0.73 CHRM1 (0.64) FDPSCHRM1LMNAHPGDHTT
SCHEMBL9301828 0.73 CHRM1 (0.64) FDPSCHRM1LMNAHPGDHTT
SCHEMBL7863043 0.73 FDPS (0.69) FDPSANPEPERAP1ERAP2KDM4E

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 FDPS 3410/4885ANPEP 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.