SCHEMBL5404858

SCHEMBL5404858

COC(c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1)c1ccc(C(F)(F)P(=O)(O)O)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 9/20 0.43
PTPN1 P18031 5/20 0.41
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
DPP4 P27487 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
NR1H2 P55055 3/20 0.37
PTPN2 P17706 1/20 0.37
NR1H3 Q13133 3/20 0.36
RXRA P19793 1/20 0.36

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
SCHEMBL5404860 0.80 PTPN1 (0.51) PTPN5PTPN1NR1H2PTPN2NR1H3
SCHEMBL7193463 0.79 PTPN1 (0.46) PTPN5PTPN1NR1H2NR1H3RXRA
SCHEMBL7193465 0.78 PTPN1 (0.67) PTPN5PTPN1NR1H2PTPN2NR1H3
SCHEMBL7592238 0.69 PTPN1 (0.74) PTPN5PTPN1PTPN2
SCHEMBL7188783 0.69 PTPN1 (0.74) PTPN5PTPN1PTPN2
SCHEMBL7200461 0.69 NR1H2 (0.38) PTPN5PTPN1NR1H2NR1H3RXRA
SCHEMBL3740561 0.69 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL7188773 0.69 PTPN1 (0.73) PTPN5PTPN1PTPN2
SCHEMBL4865776 0.69 PTPN5 (0.53) PTPN5PTPN1PTPN2
SCHEMBL7200463 0.69 PTPN1 (0.52) PTPN1NR1H2NR1H3RXRA

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-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
WO-2002102813-A1 ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS FOR TREATMENT OF DIABETES MERCK FROSST CANADA & CO. (CA) 2002-12-27 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-20040176330-A1 Aryldifluoromethylphosphonic acids for treatment of diabetes PTPRF, PTPRO, PTP4A1 PTPN5 23/4885PTPN1 16/4885CTSL 3403/4885

“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.