SCHEMBL4813819

SCHEMBL4813819

O=C(O)Cc1c(-c2ccccc2)csc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.67
PTGS1 P23219 2/20 0.43
LMNA P02545 2/20 0.43
ABCC4 O15439 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1B1 P15121 2/20 0.39
PRNP P04156 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4811686 0.89 BACE1 (0.55) BACE1GAAPTGDR2
SCHEMBL4811531 0.83 BACE1 (0.75) BACE1LMNAKMT2AMEN1NPC1
SCHEMBL4811549 0.83 BACE1 (0.75) BACE1LMNAKMT2AMEN1NPC1
SCHEMBL4619778 0.83 BACE1 (0.48) BACE1PTGS1LMNAABCC4GAA
SCHEMBL4815057 0.83 BACE1 (0.48) BACE1PTGS1LMNAABCC4GAA
SCHEMBL10712470 0.81 BACE1 (0.47) BACE1PTGS1LMNAABCC4GAA
SCHEMBL4812852 0.81 BACE1 (1.00) BACE1LMNAKMT2AMAPK1MEN1
SCHEMBL5915814 0.78 BACE1 (0.61) BACE1LMNAKMT2ATP53ALOX15
SCHEMBL4813230 0.78 BACE1 (0.50) BACE1AKR1B1RXFP1ALDH1A1SMN1; SMN2
SCHEMBL5826225 0.76 BACE1 (0.43) BACE1PTGS1LMNAABCC4GAA

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 1/4885PTGS1 1069/4885LMNA 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.