SCHEMBL3030232

SCHEMBL3030232

CCCS(=O)(=O)c1cccc(-n2c(-c3ccccc3)cc(C(=O)OCC)c2C)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.61
MAPT P10636 5/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 2/20 0.57
THRB P10828 1/20 0.55
CHRNA7 P36544 5/20 0.55
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 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
SCHEMBL3024935 0.93 TP53 (0.64) TP53MAPTLMNAPOLBTHRB
SCHEMBL3013759 0.89 LMNA (0.63) TP53MAPTLMNAPOLBTHRB
SCHEMBL7169230 0.89 LMNA (0.63) TP53MAPTLMNAPOLBTHRB
SCHEMBL3030227 0.86 TP53 (0.63) TP53MAPTLMNAPOLBTHRB
SCHEMBL3025992 0.84 CHRNA7 (0.68) TP53MAPTLMNAPOLBCHRNA7
SCHEMBL5922348 0.83 LMNA (0.69) TP53MAPTLMNAPOLBTHRB
SCHEMBL7165586 0.82 TP53 (0.74) TP53MAPTLMNAPOLBTHRB
SCHEMBL7172634 0.82 LMNA (0.67) TP53MAPTLMNAPOLBTHRB
SCHEMBL7169456 0.81 TP53 (0.71) TP53MAPTLMNAPOLBTHRB
SCHEMBL7166012 0.81 LMNA (0.66) TP53MAPTLMNAPOLBTHRB

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 11 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
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-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

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 TP53 902/4885MAPT 1215/4885LMNA 3511/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS TP53 902/4885MAPT 1215/4885LMNA 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.