SCHEMBL2803047

SCHEMBL2803047

CC(C)(O)CCOc1cc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.49
SMPD1 P17405 5/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 2/20 0.35
CA9 Q16790 1/20 0.35
ALKBH2 Q6NS38 1/20 0.35
ALKBH3 Q96Q83 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL979430 0.90 PTGES (0.50) PTGESSMPD1CA1CA2PPARA
SCHEMBL978913 0.90 PTGES (0.47) PTGESSMPD1ALKBH2ALKBH3
SCHEMBL2802236 0.88 PTGES (0.47) PTGESSMPD1PPARAALKBH2ALKBH3
SCHEMBL978258 0.87 PTGES (0.52) PTGESSMPD1CA1CA2CA9
SCHEMBL2802679 0.85 PTGES (0.48) PTGESSMPD1CA1CA2LMNA
SCHEMBL2802214 0.84 PTGES (0.47) PTGESSMPD1CA1CA2LMNA
SCHEMBL2805238 0.83 PTGES (0.48) PTGESLMNAALKBH2ALKBH3MEN1
SCHEMBL2802184 0.83 PTGES (0.51) PTGESCA1CA2LMNACA9
SCHEMBL2802188 0.83 PTGES (0.54) PTGESSMPD1CA1CA2MAPT
SCHEMBL2803088 0.83 PTGES (0.45) PTGESALKBH2ALKBH3ALDH1A1MAPT

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 4 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 disclosed
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 9/4885SMPD1 971/4885CA1 3748/4885

“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.