SCHEMBL5051278

SCHEMBL5051278

CCC(C(CCc1cccnc1)C(=O)O)P(=O)(O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.52
ERAP1 Q9NZ08 2/20 0.52
ERAP2 Q6P179 1/20 0.52
LMNA P02545 1/20 0.44
TBXAS1 P24557 7/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
FDPS P14324 3/20 0.41
CHRNA7 P36544 1/20 0.41
PTAFR P25105 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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 0.79 FOLH1 (0.46)
SCHEMBL8844265 0.77 ANPEP (0.56) ANPEPERAP1ERAP2LMNATBXAS1
SCHEMBL5051271 0.76 GRM8 (0.42) ANPEPERAP1ERAP2LMNATBXAS1
SCHEMBL5057863 0.75 GRM8 (0.42) ANPEPERAP1ERAP2LMNATBXAS1
SCHEMBL5051354 0.75 ANPEP (0.42) ANPEPERAP1ERAP2LMNATBXAS1
SCHEMBL5053105 0.75 TBXAS1 (0.46) ANPEPERAP1ERAP2TBXAS1PTAFR
SCHEMBL7929239 0.74 CETP (0.42) KMT2A
SCHEMBL5060437 0.74 TBXAS1 (0.44) ANPEPERAP1ERAP2LMNATBXAS1
SCHEMBL5057916 0.74 ALDH1A1 (0.47) ANPEPERAP1ERAP2LMNAKMT2A
SCHEMBL5053042 0.74 ANPEP (0.61) ANPEPERAP1ERAP2FDPS

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

“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.