SCHEMBL5060077

SCHEMBL5060077

O=C(O)C(c1ccccc1)C(F)P(=O)(O)Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39
SLC6A3 Q01959 2/20 0.38
EPHX2 P34913 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM1 P11229 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
SCHEMBL5060253 0.86 GRM8 (0.46) ANPEPERAP2ERAP1LMNAHTT
SCHEMBL5134132 0.81 ANPEP (0.44) CYP2D6GAAANPEPERAP2ERAP1
SCHEMBL5054399 0.76 GAA (0.40) GAAANPEPERAP2ERAP1LMNA
SCHEMBL5053038 0.73 CYP2D6 (0.48) CYP2D6ANPEPERAP2MEN1KMT2A
SCHEMBL5059745 0.72 GAA (0.46) GAAANPEPERAP2ERAP1LMNA
SCHEMBL5058015 0.71 LMNA (0.44) GAAANPEPERAP2ERAP1LMNA
SCHEMBL5051263 0.71 LMNA (0.41) GAAANPEPERAP2ERAP1LMNA
SCHEMBL5059824 0.70 CYP2D6 (0.46) CYP2D6ANPEPERAP2
SCHEMBL5060283 0.69 EPHX2 (0.43) CYP2D6EPHX2KDM4ECHRM3
SCHEMBL5058014 0.69 ERAP2 (0.48) ANPEPERAP2ERAP1HTTSMN1; SMN2

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 CYP2D6 2882/4885GAA 77/4885ANPEP 136/4885

“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.