SCHEMBL13061989

SCHEMBL13061989

Cc1cc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)ccc1NC(=O)[C@@](C)(O)C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 5/20 0.80
PDK1 Q15118 7/20 0.56
PDK2 Q15119 7/20 0.56
PDK3 Q15120 7/20 0.56
PDK4 Q16654 7/20 0.56
ABCC9 O60706 6/20 0.53
ABCC8 Q09428 6/20 0.53
KCNJ11 Q14654 6/20 0.53
KCNJ8 Q15842 6/20 0.53
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 1/20 0.47

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
SCHEMBL5736422 0.90 PTGES2 (0.80) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL3785994 0.89 PTGES2 (1.00) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5737767 0.80 PTGES2 (0.66) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL4608257 0.79 ABCC9 (0.72) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL4608254 0.79 ABCC9 (0.72) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5737269 0.78 PDK1 (0.68) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL6570953 0.78 ABCC9 (0.64) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5737699 0.78 PTGES2 (0.81) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5735151 0.77 ALDH1A1 (0.50) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL6569524 0.76 NR1H2 (0.53) PTGES2PDK1PDK2PDK3PDK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2010-12-30 US 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 30/4885PDK1 1101/4885PDK2 1367/4885
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy PTGER1, SULT2A1, SULT1E1 PTGES2 25/4885PDK1 838/4885PDK2 954/4885

“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.