SCHEMBL5163348

SCHEMBL5163348

COc1ccccc1S(=O)(=O)N(Cc1ccc(CP(=O)(OF)OF)cc1)Cc1ccc(-c2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
STAT3 P40763 6/20 0.45
ALDH1A1 P00352 2/20 0.43
TAS2R14 Q9NYV8 6/20 0.41
MCL1 Q07820 3/20 0.39
DHFR P00374 1/20 0.39
HNF4A P41235 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
ACLY P53396 1/20 0.39

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
SCHEMBL5164817 0.91 PTPN1 (0.42) PTPN1STAT3ALDH1A1TAS2R14MCL1
SCHEMBL5163343 0.85 PTPN1 (0.67) PTPN1STAT3ALDH1A1
SCHEMBL5166577 0.84 ALDH1A1 (0.41) PTPN1ALDH1A1TAS2R14ACLY
SCHEMBL5164531 0.82 NR1H2 (0.40) ALDH1A1TAS2R14ACLY
SCHEMBL5164813 0.81 PTPN1 (0.53) PTPN1STAT3ALDH1A1TAS2R14ACLY
SCHEMBL5891876 0.79 KCNA5 (0.46) PTPN1TAS2R14
SCHEMBL21872020 0.79 PTPN1 (0.53) PTPN1STAT3ALDH1A1TAS2R14ACLY
SCHEMBL5163077 0.78 LMNA (0.40) PTPN1ALDH1A1TAS2R14ACLY
SCHEMBL5165874 0.76 ACLY (0.44) PTPN1ALDH1A1TAS2R14ACLY
SCHEMBL5166039 0.75 ALDH1A1 (0.43) PTPN1ALDH1A1TAS2R14

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
EP-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS PTPN1 2/4885STAT3 1016/4885ALDH1A1 3296/4885

“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.