SCHEMBL4811549

SCHEMBL4811549

CCCOc1ccc(-c2csc(-c3ccccc3)c2CC(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.75
PTGS2 P35354 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PTPN11 Q06124 1/20 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
SCHEMBL4811531 1.00 BACE1 (0.75) BACE1PTGS2NPC1RAB9ALMNA
SCHEMBL4806389 0.89 BACE1 (0.75) BACE1PTGS2
SCHEMBL5915604 0.86 BACE1 (1.00) BACE1NPC1RAB9A
SCHEMBL4807197 0.86 BACE1 (1.00) BACE1NPC1RAB9A
SCHEMBL5915918 0.84 BACE1 (0.69) BACE1NPC1RAB9AHDAC8
SCHEMBL4805204 0.84 BACE1 (0.69) BACE1NPC1RAB9AHDAC8
SCHEMBL4813807 0.84 BACE1 (0.54) BACE1PTGS2LMNAL3MBTL1KMT2A
SCHEMBL4811686 0.84 BACE1 (0.55) BACE1
SCHEMBL4811801 0.83 BACE1 (0.55) BACE1PTGS2
SCHEMBL4813819 0.83 BACE1 (0.67) BACE1NPC1RAB9ALMNAKDM4E

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 1/4885PTGS2 1433/4885NPC1 130/4885

“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.