SCHEMBL3033614

SCHEMBL3033614

CNS(=O)(=O)c1ccc(-n2c(C)ccc2-c2ccccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.46
PTGS2 P35354 7/20 0.46
CHRNA7 P36544 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR3C2 P08235 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3013581 0.85 CA12 (0.49) PTGER1PTGS2CHRNA7CA12CA1
SCHEMBL3031646 0.78 CA12 (0.58) PTGER1PTGS2CHRNA7CA12CA1
SCHEMBL3035936 0.77 PTGS2 (0.47) PTGER1PTGS2CHRNA7CA12CA1
SCHEMBL28022358 0.75 CA12 (0.56) PTGS2CA12CA1CA2CA3
SCHEMBL3026195 0.74 PTGS2 (0.52) PTGS2CA1CA2CA5ACA5B
SCHEMBL3035449 0.73 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL3027567 0.72 PTGS2 (0.54) PTGS2GAASMN1; SMN2ALDH1A1MAPT
SCHEMBL3028605 0.71 CA1 (0.56) PTGER1PTGS2CHRNA7CA12CA1
SCHEMBL3024957 0.70 PTGER1 (0.62) PTGER1PTGS2CHRNA7CA12CA1
SCHEMBL3025066 0.69 PTGS2 (0.53) PTGER1PTGS2CHRNA7CA12CA1

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 4 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
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 PTGER1 168/4885PTGS2 69/4885CHRNA7 4801/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS PTGER1 168/4885PTGS2 69/4885CHRNA7 4801/4885

“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.