SCHEMBL5167005

SCHEMBL5167005

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.42
NR1H3 Q13133 4/20 0.42
ACLY P53396 5/20 0.37
SLC22A12 Q96S37 1/20 0.34
PTGER2 P43116 1/20 0.34
KCNA5 P22460 2/20 0.33
PTPN5 P54829 1/20 0.33
KCNH2 Q12809 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL5165874 0.85 ACLY (0.44) NR1H2NR1H3ACLYALDH1A1LMNA
SCHEMBL5164630 0.85 ACLY (0.42) NR1H2NR1H3ACLYALDH1A1LMNA
SCHEMBL5167003 0.85 PTPN5 (0.45) NR1H2NR1H3ACLYPTPN5
SCHEMBL5166577 0.84 ALDH1A1 (0.41) NR1H2NR1H3ACLYALDH1A1LMNA
SCHEMBL5163077 0.83 LMNA (0.40) NR1H2NR1H3ACLYALDH1A1LMNA
SCHEMBL5167311 0.83 NR1H2 (0.39) NR1H2NR1H3ACLYKCNA5ALDH1A1
SCHEMBL5179359 0.83 CXCR3 (0.48) NR1H2NR1H3ACLY
SCHEMBL5164817 0.82 PTPN1 (0.42) NR1H2NR1H3ACLYALDH1A1LMNA
SCHEMBL5164531 0.82 NR1H2 (0.40) NR1H2NR1H3ACLYALDH1A1LMNA
SCHEMBL5178441 0.81 NR1H2 (0.38) NR1H2NR1H3ACLYALDH1A1LMNA

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

“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.