SCHEMBL5060415

SCHEMBL5060415

C=CCC(C(C(=O)O)c1ccccc1)P(=O)(O)CCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
CYP2D6 P10635 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.35
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
KMT2A Q03164 1/20 0.33
CETP P11597 3/20 0.33
POLB P06746 1/20 0.33
SRC P12931 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5054531 0.77 ACP3 (0.38) CYP2C19KMT2A
SCHEMBL5053049 0.76 CYP2D6 (0.47) CYP2C19CYP2D6ANPEPERAP2KMT2A
SCHEMBL8164851 0.75 HPGD (0.40) CYP2C19CYP2D6SMN1; SMN2LMNA
SCHEMBL5054528 0.73 ACP3 (0.44) CYP2C19
SCHEMBL5053183 0.73 CYP2D6 (0.56) CYP2D6ANPEPERAP2CETPPOLB
SCHEMBL5054698 0.73 CYP2C19 (0.43) CYP2C19CYP2D6SMN1; SMN2
SCHEMBL10952815 0.72 CYP2C19 (0.59) CYP2C19CYP2D6SMN1; SMN2KMT2ASRC
SCHEMBL5053254 0.72 CYP2D6 (0.45) CYP2D6CETP
SCHEMBL8164849 0.71 TDP1 (0.40) CYP2C19CYP2D6KMT2ALMNA
SCHEMBL5057988 0.71 CYP2D6 (0.52) CYP2D6KMT2APOLBSRCLMNA

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 CYP2C19 3983/4885CYP2D6 2882/4885SMN1; SMN2 3363/4885

“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.