SCHEMBL5399352

SCHEMBL5399352

CCc1cc(C(F)(F)P(=O)(O)O)c(Br)c(CC)c1COC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.46
PTPN2 P17706 3/20 0.46
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRB2 P07550 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PPARG P37231 4/20 0.32
PPARA Q07869 4/20 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
SCHEMBL5414105 0.82 PTPN1 (0.37) PTPN1PTPN2MAPT
SCHEMBL5414196 0.74 PTPN1 (0.39) PTPN1PTPN2
SCHEMBL5394413 0.73 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL7623932 0.72 PTPN1 (0.56) PTPN1PTPN2PPARG
SCHEMBL5404370 0.72 PGK1 (0.42) PTPN1PTPN2
SCHEMBL5391918 0.72 PGK1 (0.42) PTPN1PTPN2
SCHEMBL7625008 0.71 PTPN1 (0.54) PTPN1PTPN2ALDH1A1PPARG
SCHEMBL4005577 0.71 PGK1 (0.44) PTPN1PTPN2
SCHEMBL5401089 0.71 CETP (0.44) PTPN1PTPN2
SCHEMBL5398161 0.70 PTPN1 (0.43) PTPN1PTPN2

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 PTPN1 16/4885PTPN2 27/4885ALDH1A1 317/4885

“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.