SCHEMBL2804931

SCHEMBL2804931

COc1cc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1C#Cc1ccc(C)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.70
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
CA12 O43570 3/20 0.50
SLC16A3 O15427 4/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA1 P00915 2/20 0.40
PKM P14618 2/20 0.40
GAA P10253 2/20 0.40
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
STAT3 P40763 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2802112 0.93 PTGES (0.74) PTGESCA2CA9CA12SLC16A3
SCHEMBL2804985 0.92 PTGES (0.70) PTGESCA2CA9CA12SLC16A3
SCHEMBL2802222 0.91 PTGES (0.69) PTGESCA2CA9CA12SLC16A3
SCHEMBL2803372 0.91 PTGES (0.69) PTGESCA2CA9CA12SLC16A3
SCHEMBL2805040 0.89 PTGES (0.66) PTGESCA2CA9CA12SLC16A3
SCHEMBL2803055 0.88 PTGES (0.72) PTGESCA2CA9SLC16A3CA1
SCHEMBL2806473 0.87 PTGES (0.55) PTGESCA2CA9CA12SLC16A3
SCHEMBL2805800 0.87 PTGES (0.68) PTGESCA2CA9CA12HDAC8
SCHEMBL2804978 0.87 PTGES (0.68) PTGESCA2CA9CA12SLC16A3
SCHEMBL2806370 0.85 PTGES (0.83) PTGESCA2CA9CA12HDAC1

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 9/4885CA2 2726/4885CA9 3611/4885

“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.