SCHEMBL4115481

SCHEMBL4115481

CN1C(=O)C(c2ccc(S(F)(F)(F)(F)F)cc2)(c2cccc(-c3cncc(F)c3)c2)N=C1N

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.81
BACE2 Q9Y5Z0 7/20 0.66
CTSD P07339 4/20 0.66

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
SCHEMBL4102289 0.89 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL4123608 0.88 BACE1 (0.79) BACE1BACE2CTSD
SCHEMBL4737545 0.87 BACE1 (0.83) BACE1BACE2CTSD
SCHEMBL4121200 0.87 BACE1 (0.81) BACE1BACE2CTSD
SCHEMBL4110039 0.86 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL18579760 0.86 BACE1 (0.81) BACE1BACE2CTSD
SCHEMBL4785604 0.86 BACE1 (0.85) BACE1BACE2CTSD
SCHEMBL4115644 0.84 BACE1 (0.63) BACE1BACE2CTSD
Acetic Acid SCHEMBL4798172 0.83 BACE1 (0.79) BACE1BACE2CTSD
SCHEMBL4103707 0.82 BACE1 (0.79) BACE1BACE2CTSD

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-20090233943-A9 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2009-09-17 US claimed
WO-2008150217-A1 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONE ANALOGS FOR THE INHIBITION OF BETA-SECRETASE ASTRAZENECA AB (SE) 2008-12-11 WO claimed
US-20080287460-A1 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2008-11-20 US claimed
US-20090233943-A9 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2009-09-17 US disclosed
US-20090233943-A9 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2009-09-17 US disclosed
WO-2008150217-A1 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONE ANALOGS FOR THE INHIBITION OF BETA-SECRETASE ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
US-20080287460-A1 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2008-11-20 US disclosed
US-20080287460-A1 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2008-11-20 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 (2 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-20080287460-A1 NEW COMPOUNDS 835 GRIK5, MAPT, PSEN1 BACE1 6/4885BACE2 25/4885CTSD 1954/4885
US-20090233943-A9 NEW COMPOUNDS 835 GRIK5, MAPT, PSEN1 BACE1 6/4885BACE2 25/4885CTSD 1954/4885

“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.