SCHEMBL5165874

SCHEMBL5165874

COc1ccccc1S(=O)(=O)N(Cc1ccc(-c2cccc(CC(=O)O)c2)cc1)Cc1ccc(CP(=O)(OF)OF)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.44
NR1H2 P55055 5/20 0.43
NR1H3 Q13133 4/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
TAS2R14 Q9NYV8 4/20 0.38
PTPN1 P18031 1/20 0.38
RORC P51449 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37

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
SCHEMBL5164630 0.93 ACLY (0.42) ACLYNR1H2NR1H3ALDH1A1LMNA
SCHEMBL5166577 0.88 ALDH1A1 (0.41) ACLYNR1H2NR1H3ALDH1A1LMNA
SCHEMBL5164817 0.86 PTPN1 (0.42) ACLYNR1H2NR1H3ALDH1A1LMNA
SCHEMBL5164531 0.86 NR1H2 (0.40) ACLYNR1H2NR1H3ALDH1A1LMNA
SCHEMBL5167005 0.85 NR1H2 (0.42) ACLYNR1H2NR1H3ALDH1A1LMNA
SCHEMBL5165866 0.85 PTPN1 (0.48) ACLYALDH1A1PTPN1
SCHEMBL5163077 0.85 LMNA (0.40) ACLYNR1H2NR1H3ALDH1A1LMNA
SCHEMBL5166039 0.84 ALDH1A1 (0.43) NR1H2NR1H3ALDH1A1TAS2R14PTPN1
SCHEMBL5166081 0.82 NR1H2 (0.37) ACLYNR1H2NR1H3ALDH1A1LMNA
SCHEMBL5167311 0.82 NR1H2 (0.39) ACLYNR1H2NR1H3ALDH1A1LMNA

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 ACLY 3966/4885NR1H2 4860/4885NR1H3 4878/4885

“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.