SCHEMBL5396755

SCHEMBL5396755

O=P(O)(Oc1ccc(COCCCc2ccc(Br)cc2)cc1Br)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL5396793 0.88 PTPN1 (0.35) PTPN2PTPN1PTPN6S1PR2S1PR1
SCHEMBL5399343 0.84 FFAR4 (0.35) PTPN2PTPN1PTPN6S1PR1S1PR3
SCHEMBL5404413 0.81 FFAR4 (0.36) PTPN2PTPN1PTPN6S1PR2S1PR1
SCHEMBL7185385 0.81 S1PR2 (0.31) PTPN1S1PR2S1PR1S1PR3LPAR2
SCHEMBL5414183 0.80 TSHR (0.38) PTPN2PTPN1PTPN6
SCHEMBL5389543 0.80 ALOX5 (0.33)
SCHEMBL5468254 0.80 CYSLTR1 (0.38) PTPN2PTPN1PTPN6
SCHEMBL7200258 0.80 MAPT (0.36) S1PR2S1PR1S1PR3LPAR2MAOA
SCHEMBL5399806 0.78 ABCB1 (0.38)
SCHEMBL5390873 0.78 NPC1 (0.35) S1PR2S1PR1S1PR3LPAR2

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 PTPN2 27/4885PTPN1 16/4885PTPN6 15/4885

“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.