SCHEMBL29469684

SCHEMBL29469684

CC(C)(C)c1ccc(OC2CC2)c(S(=O)(=O)NC(=O)c2cc3c(F)cc(N4CCC4)cc3o2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GPR6 P46095 2/20 0.34
SCN9A Q15858 7/20 0.34
TRPV1 Q8NER1 2/20 0.33
GPR119 Q8TDV5 2/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCL9 O00512 2/20 0.32
CTNNB1 P35222 2/20 0.32
RORC P51449 1/20 0.32
SCN1A P35498 1/20 0.32
SCN8A Q9UQD0 1/20 0.32

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
SCHEMBL24334016 1.00 ALDH1A1 (0.36) ALDH1A1GPR6SCN9ATRPV1GPR119
SCHEMBL24333795 0.98 ALDH1A1 (0.36) ALDH1A1GPR6SCN9ATRPV1GPR119
SCHEMBL29469633 0.98 ALDH1A1 (0.36) ALDH1A1GPR6SCN9ATRPV1GPR119
SCHEMBL29469691 0.90 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL24333774 0.90 ALDH1A1 (0.44) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL24333736 0.88 SCN9A (0.38) ALDH1A1SCN9ASCN1ASCN8A
SCHEMBL29469681 0.88 SCN9A (0.38) ALDH1A1SCN9ASCN1ASCN8A
SCHEMBL24333358 0.88 SCN9A (0.36) SCN9ALMNASMN1; SMN2
SCHEMBL24334459 0.88 PTGDR (0.35) ALDH1A1TRPV1LMNA
SCHEMBL29469663 0.88 PTGDR (0.35) ALDH1A1TRPV1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 EP claimed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO claimed
EP-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 EP disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed