SCHEMBL3013759

SCHEMBL3013759

CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(S(C)(=O)=O)c2)c1C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
TP53 P04637 7/20 0.62
MAPT P10636 5/20 0.62
POLB P06746 2/20 0.60
THRB P10828 1/20 0.58
CHRNA7 P36544 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL3024935 0.91 TP53 (0.64) LMNATP53MAPTPOLBTHRB
SCHEMBL7169230 0.91 LMNA (0.63) LMNATP53MAPTPOLBTHRB
SCHEMBL3030712 0.91 CHRNA7 (0.68) LMNATP53MAPTCHRNA7
SCHEMBL3025956 0.91 CHRNA7 (0.68) LMNATP53MAPTCHRNA7
SCHEMBL3036106 0.90 CHRNA7 (0.67) LMNATP53MAPTCHRNA7
SCHEMBL3030312 0.89 CHRNA7 (0.68) TP53MAPTTHRBCHRNA7
SCHEMBL3013319 0.89 CHRNA7 (0.53) LMNATP53MAPTCHRNA7
SCHEMBL3030232 0.89 TP53 (0.61) LMNATP53MAPTPOLBTHRB
SCHEMBL3030227 0.89 TP53 (0.63) LMNATP53MAPTPOLBTHRB
SCHEMBL3025415 0.87 CHRNA7 (0.52) LMNATP53MAPTCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US claimed
EP-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP claimed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US claimed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO claimed
US-20030013754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-01-16 US claimed
EP-1244620-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-10-02 EP claimed
WO-2001047880-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO 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
EP-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US disclosed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO disclosed
US-6569890-B2 Antiinflamamtory agents ICOS CORPORATION 2003-05-27 US disclosed
US-20030013754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-01-16 US disclosed
EP-1244620-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-10-02 EP disclosed
US-6372777-B1 ENZYME INHIBITORS TREATMENT OF INFLAMMATORY DISEASES AND OTHER DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES, AS WELL AS CENTRAL NERVOUS SYSTEM (CNS) DISORDERS, ICOS CORPORATION 2002-04-16 US disclosed
WO-2001047880-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO 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 (3 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 LMNA 3511/4885TP53 902/4885MAPT 1215/4885
US-20030013754-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE4C LMNA 4631/4885TP53 4526/4885MAPT 2040/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS LMNA 3511/4885TP53 902/4885MAPT 1215/4885

“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.