SCHEMBL5394331

SCHEMBL5394331

C=CCC(O)c1ccc(C(F)(F)P(=O)(OCC)OCC)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
NPSR1 Q6W5P4 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTPN2 P17706 3/20 0.33
PTPN1 P18031 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL5395150 0.83 PTPN1 (0.46) PTPN2PTPN1
SCHEMBL7182954 0.80 PTPN2 (0.33) GAALMNAPOLBPTPN2PTPN1
SCHEMBL4007816 0.75 PTPN1 (0.48) NPSR1PTPN2PTPN1
SCHEMBL3741679 0.74 PTPN1 (0.41) LMNAPOLBPTPN2PTPN1
SCHEMBL14626948 0.74 HRH3 (0.31)
SCHEMBL3737637 0.74 PTPN1 (0.45) GAANPSR1LMNAALDH1A1PTPN2
SCHEMBL3739163 0.74 PTPN1 (0.34) GAANPSR1LMNAALDH1A1PTPN2
SCHEMBL7187493 0.73 PTPN1 (0.37) GAANPSR1LMNAPOLBALDH1A1
SCHEMBL4005573 0.73 GAA (0.38) GAAPTPN2PTPN1KMT2AMEN1
SCHEMBL3740770 0.72 NOTUM (0.45) LMNAPOLBALDH1A1PTPN2PTPN1

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 GAA 135/4885NPSR1 2994/4885LMNA 4552/4885

“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.