SCHEMBL9727293

SCHEMBL9727293

CC(C)(C)c1ccc(S(=O)(=O)N2CCCC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
LMNA P02545 2/20 0.58
GAA P10253 2/20 0.58
HSD11B1 P28845 7/20 0.50
ACHE P22303 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
KDM2B Q8NHM5 1/20 0.45
NLRP3 Q96P20 1/20 0.45

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
SCHEMBL7383735 0.82 MMP2 (0.64) TP53LMNAGAAHSD11B1ALDH1A1
SCHEMBL7379601 0.79 MMP2 (0.64) TP53LMNAGAAACHE
SCHEMBL10702282 0.79 MMP2 (0.64) TP53GAAPOLB
SCHEMBL7380549 0.78 PKM (0.62) TP53LMNAGAAALDH1A1
SCHEMBL9727536 0.78 TSHR (0.59) TP53GAA
SCHEMBL9727624 0.78 GAA (0.48) TP53GAAALDH1A1
SCHEMBL25348950 0.78 MMP2 (0.62) TP53LMNAGAAALDH1A1POLB
SCHEMBL9727326 0.77 GAA (0.47) TP53GAA
SCHEMBL7094393 0.76 MMP2 (0.60) TP53GAAALDH1A1POLB
SCHEMBL9727635 0.76 GAA (0.46) TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164514-A Antispasmodics ROUSSEL UCLAF (FR) 1992-11-17 US claimed
US-4990531-A Antispasmodic agents ROUSSEL UCLAF (FR) 1991-02-05 US claimed
EP-0335758-A2 Derivatives of 1-arylsulfonyl-2-pyrolidinone, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1989-10-04 EP claimed
JP-1287070-A None JP disclosed
US-5164514-A Antispasmodics ROUSSEL UCLAF (FR) 1992-11-17 US disclosed
US-5081130-A Antispasmodic agents ROUSSEL UCLAF (FR) 1992-01-14 US disclosed
US-4990531-A Antispasmodic agents ROUSSEL UCLAF (FR) 1991-02-05 US disclosed
JP-H01287070-A NEW 1-ARYLSULFONYL2-PYRROLIDINONE DERIVATIVES, THEIR PRODUCTION, NEW INTERMEDIATES OBTAINED, THEIR USE AS MEDICINES AND COMPOSITION CONTAINING THEM ROUSSEL UCLAF 1989-11-17 JP disclosed