SCHEMBL4806984

SCHEMBL4806984

CCCOc1ccc(-c2scc(-c3ccccc3OC(F)(F)F)c2CC(=O)N=C(N)N)cc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.75
FFAR4 Q5NUL3 1/20 0.45
SCN9A Q15858 3/20 0.38
CYP2C9 P11712 1/20 0.37
FFAR1 O14842 1/20 0.37
NR1H4 Q96RI1 2/20 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
SCHEMBL4811801 0.87 BACE1 (0.55) BACE1FFAR4FFAR1NR1H4
SCHEMBL4809661 0.86 BACE1 (1.00) BACE1CYP2C9
SCHEMBL5915897 0.85 BACE1 (0.56) BACE1FFAR4SCN9ACYP2C9NR1H4
SCHEMBL5915604 0.84 BACE1 (1.00) BACE1
SCHEMBL4807197 0.84 BACE1 (1.00) BACE1
SCHEMBL4812986 0.82 BACE1 (0.93) BACE1CYP2C9
SCHEMBL4805928 0.79 BACE1 (1.00) BACE1CYP2C9
SCHEMBL4809434 0.72 BACE1 (0.84) BACE1CYP2C9
SCHEMBL4806389 0.72 BACE1 (0.75) BACE1FFAR4FFAR1
SCHEMBL4814785 0.71 BACE1 (0.82) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459567-B2 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2008-12-02 US claimed
US-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2006-08-17 US claimed
US-7459567-B2 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2008-12-02 US disclosed
US-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2006-08-17 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-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators BACE1, BACE2, PSEN1 BACE1 1/4885FFAR4 2673/4885SCN9A 791/4885

“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.