SCHEMBL417167

SCHEMBL417167

CCOC(=O)C(Cc1ccccc1)(Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.58
ALDH1A1 P00352 1/20 0.55
RECQL P46063 1/20 0.55
FDPS P14324 1/20 0.49
PIN1 Q13526 1/20 0.46
PTPN1 P18031 5/20 0.46
PTPRC P08575 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
PPID Q08752 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
THRB P10828 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL29009442 0.94 MMP8 (0.56) MMP8ALDH1A1RECQLFDPSPIN1
SCHEMBL6397780 0.86 PTPN1 (0.60) ALDH1A1FDPSPTPN1PTPRCKMT2A
SCHEMBL5806489 0.82 ALDH1A1 (0.62) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL2352709 0.81 ALDH1A1 (0.51) MMP8ALDH1A1RECQLFDPSPIN1
SCHEMBL4419400 0.78 ALDH1A1 (0.62) MMP8ALDH1A1RECQLPIN1PTPN1
SCHEMBL5849989 0.78 PTPN1 (0.52) ALDH1A1PTPN1PTPRCMEN1KMT2A
SCHEMBL413306 0.78 FDPS (0.60) FDPSPTPN1PTPRCSMN1; SMN2
SCHEMBL1492859 0.77 MMP8 (0.65) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL8661661 0.77 MMP8 (0.60) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL8710582 0.77 MMP8 (0.79) MMP8ALDH1A1RECQLPIN1SMN1; SMN2

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 MMP8 2/4885ALDH1A1 4784/4885RECQL 1944/4885

“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.