SCHEMBL2801490

SCHEMBL2801490

CC(C)C#Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1OC(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.60
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
KAT6A Q92794 5/20 0.37
PTGES2 Q9H7Z7 1/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
STAT3 P40763 1/20 0.33
EP300 Q09472 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
SCHEMBL2803319 0.91 PTGES (0.72) PTGESHDAC1HDAC8HDAC6STAT3
SCHEMBL979509 0.89 PTGES (0.59) PTGESHDAC1HDAC8HDAC6F7
SCHEMBL979195 0.88 PTGES (0.58) PTGESHDAC1HDAC8HDAC6F7
SCHEMBL2803279 0.87 PTGES (0.58) PTGESKAT6ACA1CA2CA9
SCHEMBL2801499 0.87 PTGES (0.58) PTGES
SCHEMBL979144 0.87 PTGES (0.81) PTGESHDAC1HDAC8HDAC6F7
SCHEMBL2805802 0.86 PTGES (0.56) PTGESKAT6ACA1CA2
SCHEMBL2803069 0.85 PTGES (0.55) PTGESCA1CA2CA9MEN1
SCHEMBL2803324 0.85 PTGES (0.55) PTGES
SCHEMBL2803305 0.85 PTGES (0.55) PTGES

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 6 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
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 9/4885HDAC1 2672/4885HDAC8 3891/4885

“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.