SCHEMBL4812110

SCHEMBL4812110

O=C(O)Cc1c(-c2ccc(Oc3ccccc3)cc2)csc1-c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.56
PTGDR2 Q9Y5Y4 4/20 0.43
GAA P10253 1/20 0.40
AKR1B1 P15121 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
SRD5A2 P31213 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GSTP1 P09211 1/20 0.38

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
SCHEMBL4813038 0.92 BACE1 (0.62) BACE1PTGDR2GAAAKR1B1SRD5A2
SCHEMBL4811686 0.86 BACE1 (0.55) BACE1PTGDR2GAAFFAR4SRD5A2
SCHEMBL4815170 0.83 BACE1 (0.75) BACE1
SCHEMBL4810071 0.82 BACE1 (0.62) BACE1PTGDR2
SCHEMBL4809434 0.78 BACE1 (0.84) BACE1
SCHEMBL4813230 0.78 BACE1 (0.50) BACE1AKR1B1KDM4EALDH1A1RXFP1
SCHEMBL4806389 0.77 BACE1 (0.75) BACE1FFAR4
SCHEMBL4811379 0.77 AKR1B1 (0.49) BACE1AKR1B1THRATHRBKDM4E
SCHEMBL5915850 0.76 BACE1 (0.58) BACE1PTGDR2
SCHEMBL4816021 0.75 BACE1 (0.51) BACE1KDM4EALDH1A1RXFP1

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.