SCHEMBL418040

SCHEMBL418040

O=P(O)(O)C(CCCc1cccc(Cc2ccccc2)c1)S(=O)(=O)O.[KH].[KH].[KH]

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 10/20 0.62
S1PR2 O95136 2/20 0.42
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ANPEP P15144 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL10066424 0.99 FDFT1 (0.63) FDFT1S1PR2S1PR4S1PR1S1PR3
Potassium SCHEMBL418042 0.97 FDFT1 (0.62) FDFT1S1PR2S1PR4S1PR1S1PR3
SCHEMBL8620750 0.89 FDFT1 (0.50) FDFT1S1PR2S1PR4S1PR1S1PR3
SCHEMBL412549 0.86 FDFT1 (0.67) FDFT1
SCHEMBL10066419 0.85 FDFT1 (0.69) FDFT1
Potassium SCHEMBL412551 0.84 FDFT1 (0.67) FDFT1
SCHEMBL417803 0.84 FDFT1 (0.64) FDFT1S1PR2S1PR4S1PR1S1PR3
SCHEMBL413233 0.84 FDFT1 (0.65) FDFT1
SCHEMBL413392 0.84 FDFT1 (0.65) FDFT1
SCHEMBL417763 0.84 FDFT1 (0.65) FDFT1

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 1987/4885S1PR2 3438/4885S1PR4 3583/4885

“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.