SCHEMBL4811510

SCHEMBL4811510

CCC(CC)NC(=O)c1ccc(-c2scc(-c3ccccc3Cl)c2CC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.66
HTT P42858 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
HDAC4 P56524 1/20 0.39
DGAT2 Q96PD7 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CNR1 P21554 1/20 0.37
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4811295 0.82 HTT (0.47) BACE1HTTTAS1R3TAS1R1HDAC4
SCHEMBL4810047 0.80 BACE1 (0.62) BACE1HTTHDAC4DGAT2CNR1
SCHEMBL4813230 0.79 BACE1 (0.50) BACE1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4810071 0.78 BACE1 (0.62) BACE1SMN1; SMN2
SCHEMBL4815170 0.77 BACE1 (0.75) BACE1RAB9A
SCHEMBL4813038 0.76 BACE1 (0.62) BACE1
SCHEMBL4806389 0.76 BACE1 (0.75) BACE1
SCHEMBL4816021 0.71 BACE1 (0.51) BACE1KDM4E
SCHEMBL4813819 0.69 BACE1 (0.67) BACE1HTTNPC1RAB9AKDM4E
SCHEMBL4812986 0.69 BACE1 (0.93) 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 1/4885HTT 318/4885TAS1R3 2936/4885

“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.