SCHEMBL5354012

SCHEMBL5354012

O=C(CBr)c1cc(S(=O)(=O)O)cs1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.41
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5350266 0.78 KMT2A (0.40) GSK3BMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5350221 0.76 MAPT (0.50) GSK3BMEN1KMT2APOLBLMNA
SCHEMBL15282434 0.75 GSK3B (0.68) GSK3BCES2CES1ALDH1A1LMNA
SCHEMBL15547606 0.72 DAO (0.59) GSK3BCES2CES1ALDH1A1LMNA
SCHEMBL22953102 0.72 GSK3B (0.48) GSK3BCES2CES1MEN1KMT2A
SCHEMBL5355918 0.71 KMT2A (0.35) CES2CES1MEN1KMT2APOLB
SCHEMBL7813005 0.70 GSK3B (0.52) GSK3BCES2CES1
SCHEMBL5357843 0.69 MEN1 (0.30) MEN1KMT2APOLB
SCHEMBL5357831 0.69 MEN1 (0.30) MEN1KMT2APOLB
SCHEMBL5355903 0.68 KMT2A (0.34) MEN1KMT2APOLBALDH1A1LMNA

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-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 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-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 GSK3B 1836/4885CES2 3569/4885CES1 1837/4885

“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.