SCHEMBL8419059

SCHEMBL8419059

C[C@@H](NC(C#N)CC(F)(F)F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
CTSL P07711 8/20 0.41
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
AR P10275 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSB P07858 1/20 0.37
CTSF Q9UBX1 1/20 0.37
CASR P41180 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
SMPD1 P17405 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL24298107 0.87 SIGMAR1 (0.40) SIGMAR1CTSLCTSSCTSKAR
SCHEMBL26829207 0.87 SIGMAR1 (0.40) SIGMAR1CTSLCTSSCTSKAR
SCHEMBL24298108 0.87 SIGMAR1 (0.40) SIGMAR1CTSLCTSSCTSKAR
SCHEMBL310670 0.86 SIGMAR1 (0.41) SIGMAR1CTSLCTSSCTSKAR
SCHEMBL10069163 0.86 SIGMAR1 (0.41) SIGMAR1CTSLCTSSCTSKAR
SCHEMBL12810249 0.86 SIGMAR1 (0.41) SIGMAR1CTSLCTSSCTSKAR
SCHEMBL25767154 0.80 SIGMAR1 (0.47) SIGMAR1MEN1KMT2ACASRCHRM2
SCHEMBL24298254 0.77 CTSL (0.39) SIGMAR1CTSLCTSSCTSKAR
SCHEMBL26127160 0.77 CTSL (0.39) SIGMAR1CTSLCTSSCTSKAR
SCHEMBL4692369 0.74 TRPA1 (0.42) CTSLCTSSCTSKARMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20090111858-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production APP, BACE1, IAPP SIGMAR1 2290/4885CTSL 1283/4885CTSS 618/4885

“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.