SCHEMBL5404413

SCHEMBL5404413

O=P(O)(Oc1ccc(COCCc2ccccc2Br)cc1Br)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.36
PTPN1 P18031 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33
FFAR1 O14842 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CD274 Q9NZQ7 2/20 0.32
PDCD1 Q15116 1/20 0.32
ALDH1A1 P00352 2/20 0.30
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
S1PR2 O95136 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30

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
SCHEMBL5399806 0.90 ABCB1 (0.38) ALDH1A1KDM4ETDP1
SCHEMBL5404989 0.89 ACP3 (0.36) FFAR1ALDH1A1S1PR1S1PR3KDM4E
SCHEMBL5468254 0.85 CYSLTR1 (0.38) PTPN1PTPN2PTPN6HDAC1
SCHEMBL5414183 0.84 TSHR (0.38) PTPN1PTPN2PTPN6
SCHEMBL5399343 0.83 FFAR4 (0.35) FFAR4PTPN1PTPN2PTPN6HDAC1
SCHEMBL5396755 0.81 PTPN2 (0.34) PTPN1PTPN2PTPN6S1PR1S1PR3
SCHEMBL5396793 0.80 PTPN1 (0.35) PTPN1PTPN2PTPN6ALDH1A1S1PR1
SCHEMBL7599157 0.80 PTPN1 (0.36) FFAR4PTPN1CD274PDCD1ALDH1A1
SCHEMBL5401110 0.80 PTPN2 (0.35) PTPN1PTPN2ALDH1A1
SCHEMBL5399820 0.77 ALDH1A1 (0.35) PTPN1PTPN2CD274ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163932-B2 Aryldifluoromethylphosphonic acids for treatment of diabetes MERCK FROSST CANADA & CO. (CA) 2007-01-16 US disclosed
US-20040176330-A1 Aryldifluoromethylphosphonic acids for treatment of diabetes MERCK FROSST CANADA LTD. (CA) 2004-09-09 US 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-20040176330-A1 Aryldifluoromethylphosphonic acids for treatment of diabetes PTPRF, PTPRO, PTP4A1 FFAR4 568/4885PTPN1 16/4885SIRT2 4262/4885

“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.