SCHEMBL10070276

SCHEMBL10070276

NC(=O)[C@@H](CCC(F)(F)F)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
GABRB1 P18505 2/20 0.41
GABRB2 P47870 2/20 0.41
TLR2 O60603 1/20 0.41
HDAC3 O15379 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL1688370 1.00 ALDH1A1 (0.42) ALDH1A1RAB9AGABRB1GABRB2TLR2
SCHEMBL18762479 0.88 GAA (0.46) ALDH1A1RAB9AGABRB1GABRB2TLR2
SCHEMBL17571421 0.86 GABRB1 (0.42) ALDH1A1RAB9AGABRB1GABRB2
SCHEMBL19435305 0.86 GABRB1 (0.42) ALDH1A1RAB9AGABRB1GABRB2
SCHEMBL375538 0.85 CYP3A4 (0.43) ALDH1A1RAB9AHDAC3
Hydrochloric Acid SCHEMBL374901 0.84 CYP3A4 (0.42) ALDH1A1RAB9AHDAC3
SCHEMBL15669228 0.83 TLR2 (0.43) ALDH1A1RAB9ATLR2
SCHEMBL15669229 0.83 TLR2 (0.43) ALDH1A1RAB9ATLR2
SCHEMBL10069756 0.82 TLR2 (0.49) TLR2
SCHEMBL2251929 0.81 MEP1B (0.52)

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 3 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
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-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

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-20090227642-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION APP, BACE1, APBA1 ALDH1A1 2018/4885RAB9A 3807/4885GABRB1 2534/4885

“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.