SCHEMBL978258

SCHEMBL978258

COCCOCCOc1cc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.52
F10 P00742 1/20 0.42
SMPD1 P17405 6/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA5A P35218 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 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
SCHEMBL2803088 0.88 PTGES (0.45) PTGESMAPT
SCHEMBL979430 0.87 PTGES (0.50) PTGESF10SMPD1HDAC8HDAC1
SCHEMBL2803047 0.87 PTGES (0.49) PTGESSMPD1HDAC8HDAC1HDAC6
SCHEMBL2802679 0.86 PTGES (0.48) PTGESF10SMPD1HDAC8NPC1
SCHEMBL978260 0.86 PTGES (0.64) PTGESSMPD1HDAC8HDAC1HDAC6
SCHEMBL2802236 0.84 PTGES (0.47) PTGESSMPD1
SCHEMBL2802214 0.84 PTGES (0.47) PTGESF10SMPD1HDAC8NPC1
SCHEMBL978913 0.84 PTGES (0.47) PTGESSMPD1
SCHEMBL2802184 0.84 PTGES (0.51) PTGESF10NPC1MAPTCA1
SCHEMBL981414 0.84 PTGES (0.58) PTGESF10CA1CA2PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 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 (3 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 PTGES 9/4885F10 3306/4885SMPD1 1044/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGES 13/4885F10 3272/4885SMPD1 935/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGES 13/4885F10 3272/4885SMPD1 935/4885

“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.