SCHEMBL5356705

SCHEMBL5356705

O=C1CCCc2c1sc(Br)c2S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL5352857 0.83 ALDH1A1 (0.31) ALDH1A1MAPK1KDM4ENPC1GAA
SCHEMBL5360384 0.80 ALDH1A1 (0.38) ALDH1A1MAPK1LMNASMN1; SMN2KDM4E
SCHEMBL5361215 0.76 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL3756942 0.71 ALDH1A1 (0.39) ALDH1A1MAPK1LMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5351087 0.70 ALDH1A1 (0.41) ALDH1A1MAPK1LMNASMN1; SMN2KDM4E
SCHEMBL31435555 0.67 ALDH1A1 (0.44) ALDH1A1MAPK1LMNASMN1; SMN2KDM4E
SCHEMBL5353878 0.64 MEN1 (0.31) NPC1
SCHEMBL3765154 0.64 ALDH1A1 (0.62) ALDH1A1MAPK1LMNASMN1; SMN2KDM4E
SCHEMBL11760449 0.61 GSK3B (0.34)
SCHEMBL5357813 0.60 NPSR1 (0.31) ALDH1A1KDM4E

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 ALDH1A1 1391/4885MAPK1 755/4885LMNA 4744/4885

“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.