SCHEMBL5401110

SCHEMBL5401110

O=P(O)(Oc1ccc(COCC(c2ccccc2)c2ccccc2)cc1Br)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
TACR1 P25103 15/20 0.35
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL5399820 0.90 ALDH1A1 (0.35) PTPN2PTPN1TACR1ALDH1A1GAA
SCHEMBL5408355 0.88 PTPN2 (0.35) PTPN2PTPN1TACR1
SCHEMBL5414183 0.88 TSHR (0.38) PTPN2PTPN1
SCHEMBL5396793 0.82 PTPN1 (0.35) PTPN2PTPN1ALDH1A1
SCHEMBL5395164 0.81 CETP (0.43)
SCHEMBL5404413 0.80 FFAR4 (0.36) PTPN2PTPN1ALDH1A1
SCHEMBL7204587 0.80 PTPN1 (0.35) PTPN2PTPN1ALDH1A1GAAPKM
SCHEMBL5390873 0.79 NPC1 (0.35) ALDH1A1GAAPKM
SCHEMBL5468254 0.78 CYSLTR1 (0.38) PTPN2PTPN1
SCHEMBL7592249 0.78 ALDH1A1 (0.35) PTPN2PTPN1ALDH1A1GAAPKM

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 16/4885TACR1 2258/4885

“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.