SCHEMBL4811686

SCHEMBL4811686

O=C(O)Cc1c(-c2ccccc2)csc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.55
PTGDR2 Q9Y5Y4 4/20 0.47
GAA P10253 1/20 0.47
SRD5A2 P31213 1/20 0.43
GSTP1 P09211 1/20 0.43
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 3/20 0.40

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
SCHEMBL4813819 0.89 BACE1 (0.67) BACE1PTGDR2GAA
SCHEMBL4813038 0.87 BACE1 (0.62) BACE1PTGDR2GAASRD5A2
SCHEMBL4812110 0.86 BACE1 (0.56) BACE1PTGDR2GAASRD5A2GSTP1
SCHEMBL4811986 0.85 PTGDR2 (0.45) BACE1PTGDR2GAASRD5A2FFAR1
SCHEMBL4814785 0.84 BACE1 (0.82) BACE1
SCHEMBL4811549 0.84 BACE1 (0.75) BACE1
SCHEMBL4811531 0.84 BACE1 (0.75) BACE1
SCHEMBL5391760 0.80 PTGDR2 (0.50) PTGDR2GAASRD5A2GSTP1FFAR4
SCHEMBL4815170 0.79 BACE1 (0.75) BACE1
SCHEMBL4810071 0.78 BACE1 (0.62) BACE1PTGDR2

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 1/4885PTGDR2 2188/4885GAA 15/4885

“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.