SCHEMBL2804226

SCHEMBL2804226

CC(C)C#Cc1ncc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1OCCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.42
EPHX2 P34913 10/20 0.41
ALKBH2 Q6NS38 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
FTO Q9C0B1 1/20 0.34
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL2803318 0.86 PTGES (0.54) PTGESEPHX2
SCHEMBL2802164 0.85 PTGES (0.51) PTGESEPHX2ALKBH2ALKBH3FTO
SCHEMBL2803302 0.82 PTGES (0.53) PTGESEPHX2
SCHEMBL2803062 0.82 EPHX2 (0.44) PTGESEPHX2ALKBH2ALKBH3FTO
SCHEMBL2807758 0.82 PTGES (0.48) PTGESALKBH2ALKBH3FTO
SCHEMBL2805827 0.80 PTGES (0.48) PTGESALKBH2ALKBH3
SCHEMBL2802188 0.79 PTGES (0.54) PTGES
SCHEMBL979479 0.79 PTGES (0.46) PTGESALKBH2ALKBH3FTOF7
SCHEMBL2802092 0.78 PTGES (0.50) PTGESEPHX2
SCHEMBL13066259 0.78 EPHX2 (0.40) PTGESEPHX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO claimed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US claimed
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 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-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy PTGER1, SULT2A1, SULT1E1 PTGES 9/4885EPHX2 182/4885ALKBH2 2239/4885

“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.