SCHEMBL4813807

SCHEMBL4813807

CCCOc1ccc(-c2scc(Br)c2CC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.54
PTGS2 P35354 2/20 0.46
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 1/20 0.40
RARB P10826 3/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G4B P0C869 1/20 0.40
MAPT P10636 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 0.84 BACE1 (0.75) BACE1PTGS2LMNAL3MBTL1KMT2A
SCHEMBL4811549 0.84 BACE1 (0.75) BACE1PTGS2LMNAL3MBTL1KMT2A
SCHEMBL4806389 0.80 BACE1 (0.75) BACE1PTGS2MAPT
SCHEMBL4811986 0.80 PTGDR2 (0.45) BACE1THRATHRB
SCHEMBL4804297 0.78 PREP (0.41) BACE1PTGS2L3MBTL1ALDH1A1MAPT
SCHEMBL4815057 0.77 BACE1 (0.48) BACE1LMNAALDH1A1CYP1A2MAPK1
SCHEMBL4811801 0.76 BACE1 (0.55) BACE1PTGS2
SCHEMBL4812986 0.73 BACE1 (0.93) BACE1LMNAMAPK1CYP2C19KMT2A
SCHEMBL4807197 0.71 BACE1 (1.00) BACE1
SCHEMBL5915604 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 1/4885PTGS2 1433/4885LMNA 2451/4885

“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.