SCHEMBL5355010

SCHEMBL5355010

CC(=O)c1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)C2CC2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 2/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RORC P51449 3/20 0.38
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC4 P56524 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HDAC11 Q96DB2 1/20 0.34
USP2 O75604 1/20 0.34
CPA1 P15085 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL5358547 0.88 HDAC6 (0.36) HDAC6HDAC8HDAC3KMT2AMEN1
SCHEMBL5358980 0.83 TAS2R14 (0.46) KMT2ASMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL5347924 0.82 KMT2A (0.47) HDAC6KMT2AMEN1ALDH1A1NPC1
SCHEMBL5358975 0.72 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5355460 0.72 CYP1A2 (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5353441 0.67 AOC3 (0.45) HDAC6KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5360893 0.64 AOC3 (0.46) HDAC6KMT2AMEN1HDAC4NPSR1
SCHEMBL1969047 0.63 TAAR1 (0.60) CHRM1TAAR1
SCHEMBL17277487 0.63 SLC6A2 (0.47) RORC
SCHEMBL13992634 0.63 NPC1 (0.75) HDAC6HDAC3KMT2AMEN1ALDH1A1

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 HDAC6 45/4885HDAC8 192/4885HDAC3 52/4885

“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.