SCHEMBL5054495

SCHEMBL5054495

CCCCCC(C(C(=O)O)c1ccccc1)P(=O)(O)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TACR3 P29371 2/20 0.38
CNR1 P21554 6/20 0.37
CNR2 P34972 6/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2D6 P10635 1/20 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
SCHEMBL5053258 0.81 PLA2G2D (0.43) PLA2G2DKDM4EKMT2AL3MBTL1CNR1
SCHEMBL5051073 0.81 ACP3 (0.43) PLA2G2DKDM4EKMT2AL3MBTL1CNR2
SCHEMBL5051076 0.79 KMT2A (0.38) KDM4EKMT2AL3MBTL1CNR1CNR2
SCHEMBL5059837 0.79 CETP (0.46) TACR3
SCHEMBL5054592 0.77 MAPT (0.39) KDM4EKMT2ACYP2C9CYP2D6
SCHEMBL5057945 0.72 CETP (0.43) TACR3
SCHEMBL5053191 0.71 CHRM3 (0.39) CNR1CNR2CYP2D6
SCHEMBL5052883 0.71 HPGDS (0.38) KDM4EL3MBTL1CYP2D6
SCHEMBL5059870 0.71 MTNR1A (0.45) KDM4EKMT2AL3MBTL1CYP2C9CYP2D6
SCHEMBL5053080 0.70 ACP3 (0.42) CYP2D6

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 PLA2G2D 2596/4885KDM4E 1768/4885KMT2A 1052/4885

“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.