SCHEMBL3779941

SCHEMBL3779941

C=CCN(CC=C)S(=O)(=O)c1cnccc1NS(=O)(=O)C=Cc1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 18/20 0.60
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3779933 1.00 PTGES2 (0.60) PTGES2CA1CA2CA9KDM4E
SCHEMBL3771891 0.85 PTGES2 (0.79) PTGES2CA1CA2CA9
SCHEMBL3771888 0.85 PTGES2 (0.79) PTGES2CA1CA2CA9
SCHEMBL3769835 0.80 PTGES2 (0.47) PTGES2CA1CA2CA9ALDH1A1
SCHEMBL3769838 0.80 PTGES2 (0.47) PTGES2CA1CA2CA9ALDH1A1
SCHEMBL3777568 0.75 PTGES2 (1.00) PTGES2
SCHEMBL3777560 0.75 PTGES2 (1.00) PTGES2
SCHEMBL3783944 0.72 PTGES2 (1.00) PTGES2
SCHEMBL3783950 0.72 PTGES2 (1.00) PTGES2
SCHEMBL3778536 0.70 PTGES2 (1.00) PTGES2

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
US-9145380-B2 Bis-(sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2015-09-29 US disclosed
EP-2234993-B1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2012-11-07 EP disclosed
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2010-12-30 US disclosed
EP-2234993-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-20090163586-A1 Bis-(Sulfonylamino) Derivatives in Therapy 205 ASTRAZENECA AB (SE) 2009-06-25 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 (2 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-20090163586-A1 Bis-(Sulfonylamino) Derivatives in Therapy 205 PTGER1, SULT2A1, SULT1E1 PTGES2 30/4885CA1 3346/4885CA2 2435/4885
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy PTGER1, SULT2A1, SULT1E1 PTGES2 25/4885CA1 3319/4885CA2 2457/4885

“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.