SCHEMBL413357

SCHEMBL413357

CCCCc1ccc(-c2ccc(CCCC(P(=O)(O)O)S(=O)(=O)O)cc2)cc1.[KH].[KH].[KH]

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.60
RARB P10826 1/20 0.47
ENPP2 Q13822 1/20 0.47
S1PR1 P21453 3/20 0.45
S1PR3 Q99500 3/20 0.45
S1PR2 O95136 2/20 0.45
LPAR2 Q9HBW0 1/20 0.45
S1PR4 O95977 1/20 0.45

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
SCHEMBL8619964 0.99 FDFT1 (0.61) FDFT1RARBENPP2S1PR1S1PR3
SCHEMBL8621086 0.94 FDFT1 (0.56) FDFT1RARBENPP2S1PR1S1PR3
SCHEMBL8620713 0.93 FDFT1 (0.54) FDFT1ENPP2S1PR1S1PR3S1PR2
SCHEMBL8625390 0.90 FDFT1 (0.51) FDFT1ENPP2S1PR1S1PR3S1PR2
SCHEMBL8621425 0.89 FDFT1 (0.50) FDFT1RARBENPP2S1PR1S1PR3
SCHEMBL413324 0.89 FDFT1 (0.60) FDFT1
SCHEMBL8620898 0.89 ENPP2 (0.60) FDFT1ENPP2S1PR1S1PR3S1PR2
SCHEMBL1237801 0.87 FDFT1 (0.61) FDFT1
SCHEMBL23752399 0.86 FDFT1 (0.60) FDFT1
SCHEMBL8620466 0.86 FDFT1 (0.46) FDFT1ENPP2S1PR1S1PR3S1PR2

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 1987/4885RARB 3294/4885ENPP2 418/4885

“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.