SCHEMBL5399343

SCHEMBL5399343

O=P(O)(Oc1ccc(COCCc2ccc(Cl)cc2)cc1Br)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
HTR2C P28335 3/20 0.34
SLC6A4 P31645 2/20 0.34
HTR2B P41595 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PPARA Q07869 2/20 0.32
CCR5 P51681 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTR2A P28223 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL5396755 0.84 PTPN2 (0.34) HRH3PTPN2PTPN1PTPN6S1PR1
SCHEMBL5468254 0.84 CYSLTR1 (0.38) PTPN2PTPN1PTPN6HDAC8HDAC1
SCHEMBL5404413 0.83 FFAR4 (0.36) FFAR4HRH3PTPN2PTPN1PTPN6
SCHEMBL5396793 0.81 PTPN1 (0.35) CCR5PTPN2PTPN1PTPN6ALDH1A1
SCHEMBL5414183 0.80 TSHR (0.38) PPARAPTPN2PTPN1PTPN6SMN1; SMN2
SCHEMBL5399806 0.80 ABCB1 (0.38) HTR2CKDM4EHCAR2ALDH1A1HTR2A
SCHEMBL7186736 0.80 HDAC3 (0.36) FFAR4SLC6A4HTR2BHRH3KDM4E
SCHEMBL7592992 0.80 LMNA (0.38) FFAR4PPARAPTPN1HDAC1ALDH1A1
SCHEMBL5404989 0.79 ACP3 (0.36) CCR5KDM4EALDH1A1S1PR1S1PR3
SCHEMBL7192779 0.79 HDAC3 (0.37) FFAR4SLC6A4HTR2BHRH3KDM4E

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 568/4885HTR2C 3504/4885SLC6A4 2920/4885

“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.