SCHEMBL4622757

SCHEMBL4622757

C=C[C@@H](C)NS(=O)(=O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
SLC40A1 Q9NP59 3/20 0.41
GLO1 Q04760 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.41
S1PR1 P21453 1/20 0.39
KAT6A Q92794 1/20 0.38
CNR1 P21554 2/20 0.38
METAP2 P50579 1/20 0.37
NFE2L2 Q16236 2/20 0.37
MMP2 P08253 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL4622762 1.00 L3MBTL1 (0.45) L3MBTL1SLC40A1GLO1KDM4EPKM
SCHEMBL578901 0.82 L3MBTL1 (0.51) L3MBTL1SLC40A1GLO1KDM4EPKM
SCHEMBL20094824 0.79 L3MBTL1 (0.49) L3MBTL1SLC40A1GLO1KDM4EPKM
SCHEMBL21151495 0.75 SMN1; SMN2 (0.53) L3MBTL1KDM4EMMP2
SCHEMBL23036706 0.75 L3MBTL1 (0.51) L3MBTL1SLC40A1GLO1KDM4EPKM
SCHEMBL27476059 0.74 L3MBTL1 (0.44) L3MBTL1SLC40A1GLO1KDM4EPKM
SCHEMBL7473562 0.74 L3MBTL1 (0.44) L3MBTL1SLC40A1GLO1KDM4EPKM
SCHEMBL2371864 0.72 L3MBTL1 (0.56) L3MBTL1SLC40A1GLO1KDM4EPKM
SCHEMBL29706147 0.72 L3MBTL1 (0.56) L3MBTL1SLC40A1GLO1KDM4EPKM
SCHEMBL762825 0.72 L3MBTL1 (0.56) L3MBTL1SLC40A1GLO1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide SMITHKLINE BEECHAM CORPORATION 2008-10-23 US claimed
EP-1713790-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID (S)-3-METHYL-1- ((4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZ EPAN-4-YLCARBAMOYL-BUTYL)-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP claimed
WO-2005069981-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[(4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZEPAN-4-YLCARBAMOYL]-BUTYL}-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 WO claimed
US-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide SMITHKLINE BEECHAM CORPORATION 2008-10-23 US disclosed
EP-1713790-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID (S)-3-METHYL-1- ((4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZ EPAN-4-YLCARBAMOYL-BUTYL)-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005069981-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[(4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZEPAN-4-YLCARBAMOYL]-BUTYL}-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 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 (1 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-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide ACMSD, CPS1, BCAT2 L3MBTL1 4254/4885SLC40A1 4429/4885GLO1 2586/4885

“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.