SCHEMBL416504

SCHEMBL416504

O=C(CP(=O)(O)O)NCCCc1cccc(Oc2ccc(Cl)cc2)c1.[KH].[KH]

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 7/20 0.79
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
LTA4H P09960 1/20 0.48
EPHX2 P34913 1/20 0.48
ADAMTS4 O75173 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46

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
SCHEMBL10106282 0.99 FDFT1 (0.80) FDFT1MTNR1AMTNR1BLTA4HEPHX2
Potassium SCHEMBL416506 0.98 FDFT1 (0.79) FDFT1MTNR1AMTNR1BLTA4HEPHX2
SCHEMBL417473 0.91 FDFT1 (0.79) FDFT1MTNR1AMTNR1B
SCHEMBL416405 0.90 FDFT1 (0.79) FDFT1MTNR1AMTNR1B
SCHEMBL10106240 0.90 FDFT1 (0.80) FDFT1MTNR1AMTNR1B
SCHEMBL1237375 0.89 FDFT1 (0.81) FDFT1MTNR1AMTNR1B
Potassium SCHEMBL417475 0.89 FDFT1 (0.79) FDFT1MTNR1AMTNR1B
Potassium SCHEMBL416407 0.88 FDFT1 (0.79) FDFT1MTNR1AMTNR1B
SCHEMBL416656 0.88 FDFT1 (0.73) FDFT1
Potassium SCHEMBL416658 0.85 FDFT1 (0.73) 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 1987/4885MTNR1A 4586/4885MTNR1B 4592/4885

“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.