SCHEMBL4811801

SCHEMBL4811801

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.55
FFAR4 Q5NUL3 3/20 0.54
NR1H4 Q96RI1 5/20 0.45
PPARD Q03181 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.40
PTGS2 P35354 1/20 0.39
RORC P51449 1/20 0.39
FFAR1 O14842 2/20 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
SCHEMBL4806984 0.87 BACE1 (0.75) BACE1FFAR4NR1H4FFAR1
SCHEMBL5915897 0.86 BACE1 (0.56) BACE1FFAR4NR1H4RORC
SCHEMBL4806389 0.84 BACE1 (0.75) BACE1FFAR4PTGS2FFAR1
SCHEMBL4811531 0.83 BACE1 (0.75) BACE1PTGS2
SCHEMBL4811549 0.83 BACE1 (0.75) BACE1PTGS2
SCHEMBL4812986 0.76 BACE1 (0.93) BACE1
SCHEMBL4813807 0.76 BACE1 (0.54) BACE1PTGS2
SCHEMBL4807197 0.71 BACE1 (1.00) BACE1
SCHEMBL5915604 0.71 BACE1 (1.00) BACE1
SCHEMBL4809661 0.71 BACE1 (1.00) 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 3 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 disclosed
WO-2006088694-A1 SUBSTITUTED THIENYL AND FURYL ACYLGUANIDINES AS β-SECRETASE MODULATORS WYETH (US) 2006-08-24 WO 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 2673/4885NR1H4 1655/4885

“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.