SCHEMBL1115072

SCHEMBL1115072

CC(C)(C)OC(=O)NC(C(N)=O)c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.41
CTSK P43235 3/20 0.41
S1PR3 Q99500 1/20 0.40
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
SCN9A Q15858 3/20 0.38
TRPA1 O75762 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL1115223 0.87 CTSS (0.45) CTSSCTSKS1PR3GABRB1GABRB2
SCHEMBL12847456 0.85 CTSS (0.41) CTSSCTSKS1PR3GABRB1GABRB2
SCHEMBL23385035 0.83 KLRK1 (0.43) CTSSCTSKS1PR3GABRB1GABRB2
SCHEMBL17041585 0.80 KMT2A (0.43) CTSSCTSKGABRB1GABRB2TRPA1
SCHEMBL17041589 0.80 KMT2A (0.43) CTSSCTSKGABRB1GABRB2TRPA1
SCHEMBL12791268 0.80 KMT2A (0.43) CTSSCTSKGABRB1GABRB2TRPA1
SCHEMBL29826578 0.80 CTSS (0.40) CTSSCTSKS1PR3GABRB1GABRB2
SCHEMBL23384955 0.80 CTSS (0.40) CTSSCTSKS1PR3GABRB1GABRB2
SCHEMBL12326945 0.79 CTSS (0.41) CTSSCTSKS1PR3GABRB1GABRB2
SCHEMBL3212595 0.79 CTSK (0.63) CTSSCTSKS1PR3GABRB1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 US disclosed
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 US disclosed
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 US disclosed
EP-2278878-A1 2-ARYL GLYCINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2011-02-02 EP disclosed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 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-20110059940-A1 2-Aryl Glycinamide Derivatives IAPP, APP, BACE1 CTSS 589/4885CTSK 706/4885S1PR3 4438/4885

“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.