SCHEMBL979478

SCHEMBL979478

CC(C)(O)C#Cc1cccc(-c2ccccc2C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.48
PTGES2 Q9H7Z7 6/20 0.42
F10 P00742 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
MAP3K14 Q99558 1/20 0.39
CA2 P00918 6/20 0.38
CA9 Q16790 6/20 0.38
CA1 P00915 5/20 0.38
BCL2L1 Q07817 1/20 0.37
CA5A P35218 1/20 0.35
CA12 O43570 1/20 0.34
HAO1 Q9UJM8 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
SCHEMBL979255 0.83 PTGES (0.60) PTGESPTGES2CA2CA9CA1
SCHEMBL4115216 0.82 PTGES (0.47) PTGESPTGES2F10PRSS1PRSS2
SCHEMBL13850991 0.82 F10 (0.45) PTGESPTGES2F10PRSS1PRSS2
SCHEMBL979424 0.78 PTGES (0.47) PTGESPTGES2F10PRSS1PRSS2
SCHEMBL980249 0.77 PTGES (0.75) PTGESPTGES2CA2CA9CA1
SCHEMBL976759 0.76 PTGES (0.61) PTGESPTGES2CA2CA9CA1
SCHEMBL977417 0.73 PTGES (0.52) PTGESPTGES2CA2CA9CA1
SCHEMBL979511 0.71 PTGES (0.50) PTGESPTGES2CA2CA9CA1
SCHEMBL979288 0.71 PTGES (0.44) PTGESF10PRSS1PRSS2PRSS3
SCHEMBL978360 0.70 PTGES (0.43) PTGESPTGES2F10PRSS1PRSS2

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-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US claimed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US claimed
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-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 9/4885PTGES2 28/4885F10 3306/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGES 13/4885PTGES2 26/4885F10 3272/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGES 13/4885PTGES2 26/4885F10 3272/4885

“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.