SCHEMBL415274

SCHEMBL415274

O=C(CP(=O)(O)O)NCCc1cccc(Oc2ccccc2)c1.[KH].[KH]

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 7/20 0.76
AKR1C3 P42330 1/20 0.48
EPHX2 P34913 3/20 0.48
LTA4H P09960 2/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48

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
Potassium SCHEMBL415276 0.97 FDFT1 (0.76) FDFT1AKR1C3EPHX2LTA4HPLAAT3
SCHEMBL417473 0.93 FDFT1 (0.79) FDFT1
SCHEMBL416656 0.92 FDFT1 (0.73) FDFT1
SCHEMBL10106240 0.91 FDFT1 (0.80) FDFT1
Potassium SCHEMBL417475 0.90 FDFT1 (0.79) FDFT1
Potassium SCHEMBL416658 0.89 FDFT1 (0.73) FDFT1
SCHEMBL416504 0.84 FDFT1 (0.79) FDFT1EPHX2LTA4H
SCHEMBL10106282 0.82 FDFT1 (0.80) FDFT1EPHX2LTA4H
SCHEMBL15970722 0.82 CA12 (0.65) FDFT1PLAAT5PLAAT4
SCHEMBL10106169 0.82 MTNR1A (0.68) FDFT1AKR1C3EPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP FDFT1 1987/4885AKR1C3 4693/4885EPHX2 3510/4885

“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.