SCHEMBL978366

SCHEMBL978366

CC(C)(C)C#Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.54
PTGES2 Q9H7Z7 3/20 0.40
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
LMNA P02545 3/20 0.37
CA9 Q16790 3/20 0.36
F10 P00742 1/20 0.35
POLB P06746 2/20 0.35
EZH2 Q15910 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR3 Q99500 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
KAT6A Q92794 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
SCHEMBL980271 0.86 PTGES (0.55) PTGESPTGES2CA1CA2LMNA
SCHEMBL980321 0.84 PTGES (0.74) PTGESPTGES2CA1CA2CA9
SCHEMBL979008 0.82 PTGES (0.57) PTGESCA1CA2LMNACA9
SCHEMBL979509 0.82 PTGES (0.59) PTGESPTGES2CA1CA2LMNA
SCHEMBL13850429 0.82 PTGES (0.59) PTGESPTGES2CA1CA2LMNA
SCHEMBL981396 0.81 PTGES (0.77) PTGESPTGES2CA1CA2LMNA
SCHEMBL976759 0.80 PTGES (0.61) PTGESPTGES2CA1CA2LMNA
SCHEMBL2802046 0.80 PTGES (0.62) PTGESPTGES2KAT6A
SCHEMBL2805182 0.79 PTGES (0.56) PTGESPTGES2CA1CA2
SCHEMBL981414 0.79 PTGES (0.58) PTGESPTGES2CA1CA2LMNA

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 13 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 claimed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP claimed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US claimed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO 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-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
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 28/4885CA1 3705/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGES 13/4885PTGES2 26/4885CA1 3657/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGES 13/4885PTGES2 26/4885CA1 3657/4885

“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.