SCHEMBL5408355

SCHEMBL5408355

O=P(O)(Oc1ccc(COCC(Cc2ccccc2)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
ACP3 P15309 3/20 0.34
PPARA Q07869 1/20 0.34
LAP3 P28838 2/20 0.34
ANPEP P15144 1/20 0.34
TACR1 P25103 7/20 0.32
PIN1 Q13526 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
GPR34 Q9UPC5 1/20 0.31

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
SCHEMBL5401110 0.88 PTPN2 (0.35) PTPN2PTPN1TACR1
SCHEMBL5414183 0.86 TSHR (0.38) PTPN2PTPN1PPARALAP3ANPEP
SCHEMBL5399820 0.85 ALDH1A1 (0.35) PTPN2PTPN1TACR1
SCHEMBL5395164 0.79 CETP (0.43)
SCHEMBL5408349 0.79 PTPN1 (0.57) PTPN2PTPN1ACP3TACR1
SCHEMBL7597986 0.78 PTPN1 (0.35) PTPN2PTPN1ACP3PPARALAP3
SCHEMBL5396793 0.78 PTPN1 (0.35) PTPN2PTPN1
SCHEMBL5404413 0.76 FFAR4 (0.36) PTPN2PTPN1
SCHEMBL7168584 0.76 PTPN1 (0.47) PTPN2PTPN1PPARA
SCHEMBL5389588 0.75 ALOX5 (0.38) PTPN1

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 16/4885ACP3 154/4885

“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.