SCHEMBL1644146

SCHEMBL1644146

CCc1ccc(-c2ncon2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
RORC P51449 2/20 0.41
KAT6A Q92794 1/20 0.39
RORA P35398 1/20 0.37
RORB Q92753 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HCRTR1 O43613 8/20 0.36
HCRTR2 O43614 8/20 0.36
CYP3A4 P08684 7/20 0.36
BACE1 P56817 2/20 0.36
CASP6 P55212 1/20 0.36
CXCR3 P49682 1/20 0.36
KMO O15229 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
SCHEMBL12227576 0.85 HDAC1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27853917 0.84 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10306807 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL310990 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27832464 0.82 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL310646 0.79 NISCH (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23166186 0.76 BACE1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14951064 0.76 AURKA (0.39) KAT6AHCRTR1HCRTR2CYP3A4BACE1
SCHEMBL27850805 0.76 KAT6A (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15471657 0.75 ESR1 (0.46) ESR1ESR2

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-8350084-B2 Alpha-(N-sulfonamido)acetamide compound as an inhibitor of beta amyloid peptide production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-20120088925-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8093276-B2 Alpha-(N-sulfonamido)acetamide compound as an inhibitor of beta amyloid peptide production BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-8084477-B2 Alpha-(N-sulfonamido)acetamide compound as an inhibitor of beta amyloid peptide production BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-27 US disclosed
US-8044077-B2 Alpha-(N-sulfonamido)acetamide compounds incorporating deuterium as inhibitors of beta amyloid peptide production BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20100240719-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUNDS INCORPORATING DEUTERIUM AS INHIBITORS OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2010-09-23 US disclosed
US-20090227642-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 US disclosed
US-20090111858-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production BRISTOL-MYERS SQUIBB COMPANY 2009-04-30 US 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 (4 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-20090111858-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production APP, BACE1, IAPP PSEN1 5/4885PSEN2 8/4885APH1B 9/4885
US-20100240719-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUNDS INCORPORATING DEUTERIUM AS INHIBITORS OF BETA AMYLOID PEPTIDE PRODUCTION APP, BACE1, PSEN1 PSEN1 3/4885PSEN2 10/4885APH1B 6/4885
US-20120088925-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production APP, BACE1, IAPP PSEN1 5/4885PSEN2 8/4885APH1B 9/4885
US-20090227642-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION APP, BACE1, APBA1 PSEN1 4/4885PSEN2 9/4885APH1B 6/4885

“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.