SCHEMBL5051273

SCHEMBL5051273

CCC(C(C(=O)O)c1ccccc1)P(=O)(O)CC1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
GLA P06280 1/20 0.38
ALOX12 P18054 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL5060117 0.81 HPGD (0.42) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5054537 0.74 HPGD (0.48) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL8164851 0.74 HPGD (0.40) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5052926 0.73 HPGD (0.43) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL6037859 0.73 HPGD (0.41) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5054653 0.73 HPGD (0.47) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5051305 0.73 HPGD (0.50) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5060114 0.73 SLC6A3 (0.41) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL8164849 0.72 TDP1 (0.40) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL5059824 0.72 CYP2D6 (0.46) HPGDCYP2D6

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 8 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
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 HPGD 3806/4885CYP3A4 3219/4885CYP2D6 2882/4885

“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.