SCHEMBL5164817

SCHEMBL5164817

COc1ccccc1S(=O)(=O)N(Cc1ccc(-c2ccc(O)c(C(=O)O)c2)cc1)Cc1ccc(CP(=O)(OF)OF)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
STAT3 P40763 5/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 1/20 0.40
TAS2R14 Q9NYV8 6/20 0.39
ALDH1A1 P00352 2/20 0.39
ACLY P53396 1/20 0.39
MCL1 Q07820 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL5166577 0.94 ALDH1A1 (0.41) PTPN1NR1H2NR1H3TAS2R14ALDH1A1
SCHEMBL5164531 0.92 NR1H2 (0.40) NR1H2NR1H3TAS2R14ALDH1A1ACLY
SCHEMBL5163348 0.91 PTPN1 (0.47) PTPN1STAT3TAS2R14ALDH1A1ACLY
SCHEMBL5163077 0.89 LMNA (0.40) PTPN1NR1H2NR1H3TAS2R14ALDH1A1
SCHEMBL5165874 0.86 ACLY (0.44) PTPN1NR1H2NR1H3TAS2R14ALDH1A1
SCHEMBL5164813 0.85 PTPN1 (0.53) PTPN1STAT3TAS2R14ALDH1A1ACLY
SCHEMBL5166039 0.85 ALDH1A1 (0.43) PTPN1NR1H2NR1H3TAS2R14ALDH1A1
SCHEMBL5164630 0.84 ACLY (0.42) NR1H2NR1H3TAS2R14ALDH1A1ACLY
SCHEMBL5167005 0.82 NR1H2 (0.42) NR1H2NR1H3ALDH1A1ACLYLMNA
SCHEMBL5167311 0.82 NR1H2 (0.39) NR1H2NR1H3TAS2R14ALDH1A1ACLY

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 1016/4885NR1H2 4860/4885

“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.