SCHEMBL6001632

SCHEMBL6001632

CCCCCC1=CC(=O)C=CC1=S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.65
BACE1 P56817 1/20 0.65
ALOX5 P09917 14/20 0.49
PTGS2 P35354 5/20 0.49
GLS2 Q9UI32 1/20 0.47
PTPN1 P18031 1/20 0.40
KMT2A Q03164 2/20 0.39
MPEG1 Q2M385 7/20 0.34
XIAP P98170 2/20 0.34
GPR84 Q9NQS5 2/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PTGES O14684 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL10686773 0.98 ACHE (0.68) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL10702784 0.98 ACHE (0.68) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL10682296 0.98 ACHE (0.68) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL891244 0.80 ACHE (0.96) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL10701374 0.78 ACHE (1.00) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL11018415 0.78 ACHE (1.00) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL10702354 0.78 ACHE (1.00) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL10704172 0.78 ACHE (1.00) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL8782213 0.78 ACHE (1.00) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL20875697 0.78 ACHE (1.00) ACHEBACE1ALOX5PTGS2GLS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones JAQUITH JAMES B 2006-10-19 US disclosed
WO-2005012281-A1 NEUROPROTECTIVE BENZO[1,3]OXATHOL-2-ONES AEGERA THERAPEUTICS INC. (CA) 2005-02-10 WO 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-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones NLN, SMN1; SMN2, TXN2 ACHE 482/4885BACE1 83/4885ALOX5 1213/4885

“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.