SCHEMBL3030712

SCHEMBL3030712

CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(S(C)(=O)=O)c2)c1C

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.68
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.52
CYP2D6 P10635 1/20 0.52
TP53 P04637 2/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL3036106 0.99 CHRNA7 (0.67) CHRNA7MAPK1LMNACYP2D6TP53
SCHEMBL3025992 0.92 CHRNA7 (0.68) CHRNA7MAPK1LMNACYP2D6TP53
SCHEMBL3029276 0.91 CHRNA7 (0.80) CHRNA7MAPK1CYP2D6PTGS2
SCHEMBL3013759 0.91 LMNA (0.63) CHRNA7LMNATP53MAPT
SCHEMBL3028680 0.90 CHRNA7 (0.56) CHRNA7PTGS1PTGS2
SCHEMBL3025956 0.90 CHRNA7 (0.68) CHRNA7LMNATP53PTGS1PTGS2
SCHEMBL3030321 0.89 CHRNA7 (0.55) CHRNA7LMNACYP2D6TP53PTGS2
SCHEMBL3032610 0.89 CHRNA7 (0.55) CHRNA7LMNATP53MAPT
SCHEMBL3013319 0.88 CHRNA7 (0.53) CHRNA7LMNATP53PTGS1PTGS2
SCHEMBL3030312 0.88 CHRNA7 (0.68) CHRNA7TP53MAPT

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 7 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 claimed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US claimed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US claimed
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 CHRNA7 4801/4885MAPK1 4366/4885LMNA 3511/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS CHRNA7 4801/4885MAPK1 4366/4885LMNA 3511/4885

“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.