SCHEMBL3027933

SCHEMBL3027933

Cc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
PTGS2 P35354 6/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
USP2 O75604 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
CHRNA7 P36544 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
SCHEMBL3024752 0.86 MEN1 (0.52) L3MBTL1PTGS2MEN1KMT2APKM
SCHEMBL3030118 0.85 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AHTTUSP2
SCHEMBL3026333 0.80 PTGS2 (0.78) PTGS2ALDH1A1
SCHEMBL7215254 0.80 PTGS2 (0.78) PTGS2ALDH1A1
SCHEMBL3026121 0.79 CHRNA7 (0.60) PTGS2CHRNA7
SCHEMBL5314020 0.79 CHRNA7 (0.60) PTGS2CHRNA7
SCHEMBL3032641 0.79 MCOLN3 (0.46) PTGS2MEN1KMT2APKMUSP2
SCHEMBL5249795 0.78 L3MBTL1 (0.86) L3MBTL1MEN1KMT2AHTTUSP2
SCHEMBL5251337 0.78 L3MBTL1 (0.86) L3MBTL1MEN1KMT2AHTTUSP2
SCHEMBL3031646 0.78 CA12 (0.58) PTGS2MEN1KMT2APKMHTT

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 L3MBTL1 4423/4885PTGS2 69/4885MEN1 2853/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS L3MBTL1 4423/4885PTGS2 69/4885MEN1 2853/4885

“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.