SCHEMBL5360893

SCHEMBL5360893

COC(CN(C)S(=O)(=O)c1ccc(C(C)=O)s1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.46
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.38
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
LMNA P02545 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 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
SCHEMBL5353441 0.85 AOC3 (0.45) AOC3HDAC4HDAC6KMT2APOLB
SCHEMBL5354321 0.83 KMT2A (0.51) AOC3KMT2APOLBMMP2MMP9
SCHEMBL5347924 0.75 KMT2A (0.47) AOC3HDAC4HDAC6KMT2APOLB
SCHEMBL5356409 0.68 KMT2A (0.56) AOC3KMT2APOLBMMP2MMP9
SCHEMBL19823828 0.67 AOC3 (0.74) AOC3
SCHEMBL21030406 0.66 AOC3 (0.68) AOC3MMP1MMP3MMP9
SCHEMBL5355010 0.64 HDAC6 (0.40) HDAC4HDAC6KMT2ANPSR1MEN1
SCHEMBL5352376 0.64 LMNA (0.38) AOC3POLBLMNANPSR1MAPT
SCHEMBL5358989 0.63 LMNA (0.44) POLBLMNAMAPT
SCHEMBL25248861 0.63 HDAC4 (0.40) HDAC4HDAC6KMT2APOLBMMP1

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 AOC3 522/4885HDAC4 76/4885HDAC6 45/4885

“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.