SCHEMBL4623170

SCHEMBL4623170

C[C@@H]1C=C[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](O)CN1S(=O)(=O)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SMYD3 Q9H7B4 3/20 0.34
ELOVL6 Q9H5J4 1/20 0.33
CTSL P07711 4/20 0.32
CTSS P25774 4/20 0.32
CTSK P43235 4/20 0.32
CYP1A2 P05177 1/20 0.32
GRM5 P41594 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 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
SCHEMBL4622098 0.80 ELOVL6 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5983334 0.79 PKM (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5983331 0.79 PKM (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4623174 0.74 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14015886 0.72 TP53 (0.34) CYP1A2ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL5982520 0.70 ALDH1A1 (0.40) CTSLCTSSCTSKALDH1A1MAPT
SCHEMBL5982509 0.70 ALDH1A1 (0.40) CTSLCTSSCTSKALDH1A1MAPT
SCHEMBL4623836 0.70 SMYD3 (0.41) SMYD3ELOVL6CTSLCTSSCTSK
SCHEMBL4316021 0.70 SMYD3 (0.41) SMYD3ELOVL6CTSLCTSSCTSK
SCHEMBL4309590 0.70 SMYD3 (0.41) SMYD3ELOVL6CTSLCTSSCTSK

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 PSEN1 4405/4885PSEN2 3608/4885APH1B 2631/4885

“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.