SCHEMBL5051234

SCHEMBL5051234

O=C(O)C(c1ccccc1)C(F)P(=O)(O)C1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2D6 P10635 2/20 0.40
HPGD P15428 4/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A3 Q01959 2/20 0.36
ALDH1A1 P00352 4/20 0.34
GLA P06280 1/20 0.34
ALOX12 P18054 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7604660 0.73 SMN1; SMN2 (0.48) GAASMN1; SMN2CYP2D6HPGDCYP3A4
SCHEMBL7616110 0.73 GAA (0.48) GAASMN1; SMN2CYP2D6HPGDCYP3A4
SCHEMBL7614185 0.73 SMN1; SMN2 (0.48) GAASMN1; SMN2CYP2D6HPGDCYP3A4
SCHEMBL5060283 0.70 EPHX2 (0.43) CYP2D6
SCHEMBL5051273 0.68 HPGD (0.45) GAASMN1; SMN2CYP2D6HPGDCYP3A4
SCHEMBL9208916 0.65 SMN1; SMN2 (1.00) GAASMN1; SMN2HPGDCYP2C9CYP2C19
SCHEMBL5054537 0.63 HPGD (0.48) SMN1; SMN2CYP2D6HPGDCYP3A4CYP2C9
SCHEMBL5060077 0.63 CYP2D6 (0.42) GAASMN1; SMN2CYP2D6CYP3A4CYP2C9
SCHEMBL28782394 0.63 CYP2D6 (0.73) CYP2D6CYP2C19TDP1KMT2ALMNA
SCHEMBL5051305 0.62 HPGD (0.50) GAASMN1; SMN2CYP2D6HPGDCYP3A4

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 GAA 77/4885SMN1; SMN2 3363/4885CYP2D6 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.