SCHEMBL1642298

SCHEMBL1642298

NC(=O)[C@H](N)CCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.42
NOS3 P29474 4/20 0.42
NOS1 P29475 4/20 0.42
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
KIF11 P52732 4/20 0.34
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GSR P00390 1/20 0.31
CYP1A2 P05177 1/20 0.31
GRIK1 P39086 1/20 0.31
GRM5 P41594 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
SLC1A3 P43003 1/20 0.31

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
SCHEMBL24108958 1.00 NOS2 (0.42) NOS2NOS3NOS1ALOX15BLM
SCHEMBL1876375 1.00 NOS2 (0.42) NOS2NOS3NOS1ALOX15BLM
Hydrochloric Acid SCHEMBL310572 0.98 NOS2 (0.43) NOS2NOS3NOS1ALOX15BLM
Hydrochloric Acid SCHEMBL29609101 0.98 NOS2 (0.43) NOS2NOS3NOS1ALOX15BLM
Hydrochloric Acid SCHEMBL310573 0.98 NOS2 (0.43) NOS2NOS3NOS1ALOX15BLM
SCHEMBL310317 0.80 NOS2 (0.55) NOS2NOS3NOS1ALOX15BLM
SCHEMBL2888856 0.80 NOS2 (0.55) NOS2NOS3NOS1ALOX15BLM
SCHEMBL310316 0.80 NOS2 (0.55) NOS2NOS3NOS1ALOX15BLM
Hydrochloric Acid SCHEMBL15240323 0.78 NOS2 (0.56) NOS2NOS3NOS1ALOX15BLM
Trifluoroacetic Acid SCHEMBL20164118 0.78 ALOX15 (0.38) NOS2NOS3NOS1ALOX15BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408757-B1 A NOVEL ALPHA-(N-SULFONAMIDO) ACETAMIDE COMPOUND INCORPORATING DEUTERIUM AS INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2014-06-25 EP disclosed
EP-2408450-B1 ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-03-13 EP disclosed
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-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
EP-2471769-A1 Process for preparing a benzonitrile derivative Bristol-Myers Squibb Company (US) 2012-07-04 EP 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-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-20110071199-A1 Thiophenyl Sulfonamides for the Treatment of Alzheimer's Disease BRISTOL-MYERS SQUIBB COMPANY 2011-03-24 US disclosed
US-20110071199-A1 Thiophenyl Sulfonamides for the Treatment of Alzheimer's Disease BRISTOL-MYERS SQUIBB COMPANY 2011-03-24 US disclosed
EP-2295417-A1 Novel intermediates useful for preparing alpha-(n-sulfonamido)acetamide compound Bristol-Myers Squibb Company (US) 2011-03-16 EP disclosed
EP-2205575-B1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2011-03-16 EP 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
WO-2010107435-A1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-23 WO disclosed
WO-2010107984-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUNDS INCORPORATING DEUTERIUM AS INHIBITORS OF BETA AMYLOID PEPTIDE PRODUCTION A NOVEL ALPHA-(N-SULFONAMIDO) ACETAMIDE COMPOUND INCORPORATING DEUTERIUM AS INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-23 WO 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 (5 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 NOS2 508/4885NOS3 883/4885NOS1 301/4885
US-20100240719-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUNDS INCORPORATING DEUTERIUM AS INHIBITORS OF BETA AMYLOID PEPTIDE PRODUCTION APP, BACE1, PSEN1 NOS2 1300/4885NOS3 1431/4885NOS1 648/4885
US-20120088925-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production APP, BACE1, IAPP NOS2 508/4885NOS3 883/4885NOS1 301/4885
US-20090227642-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION APP, BACE1, APBA1 NOS2 564/4885NOS3 638/4885NOS1 280/4885
US-20110071199-A1 Thiophenyl Sulfonamides for the Treatment of Alzheimer's Disease APP, PSEN1, PSEN2 NOS2 346/4885NOS3 791/4885NOS1 187/4885

“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.