SCHEMBL3035286

SCHEMBL3035286

Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.59
CA2 P00918 7/20 0.56
CA9 Q16790 5/20 0.56
CA12 O43570 3/20 0.56
CHRNA7 P36544 1/20 0.55
CA1 P00915 5/20 0.54
PTGS1 P23219 2/20 0.50
CA4 P22748 1/20 0.46

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
SCHEMBL7210840 0.88 PTGS2 (0.76) PTGS2CA2CA9CA12CHRNA7
SCHEMBL6513769 0.87 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5314020 0.86 CHRNA7 (0.60) PTGS2CA2CA9CA12CHRNA7
SCHEMBL3026121 0.86 CHRNA7 (0.60) PTGS2CA2CA9CA12CHRNA7
SCHEMBL3021555 0.86 PTGS2 (0.77) PTGS2CA2CA9CA12CHRNA7
SCHEMBL3025180 0.86 PTGS2 (0.68) PTGS2CA2CA9CA12CHRNA7
SCHEMBL7210689 0.86 PTGS2 (0.77) PTGS2CA2CA9CA12CHRNA7
SCHEMBL7215363 0.86 PTGS2 (0.59) PTGS2CA2CA9CA12CHRNA7
SCHEMBL3021477 0.85 PTGS2 (0.67) PTGS2CA2CA9CA12CHRNA7
SCHEMBL7216218 0.85 PTGS2 (0.76) PTGS2CA2CA9CA12CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US disclosed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-7741364-B2 Neuronal nicotinic acetylcholine receptor modulators; such as ethyl 1-[4-(aminosulfonyl)phenyl]-5-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carboxylate ABBOTT LABORATORIES (US) 2010-06-22 US disclosed
CN-101479241-A Pyrrole derivatives and their methods of use ABBOTT LAB (US) 2009-07-08 CN disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS PTGS2 69/4885CA2 3202/4885CA9 2545/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS PTGS2 69/4885CA2 3202/4885CA9 2545/4885

“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.