SCHEMBL5350824

SCHEMBL5350824

CN(CC(O)c1ccc(F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.53
RIPK1 Q13546 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
TXNRD1 Q16881 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 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
SCHEMBL5360820 1.00 AOC3 (0.53) AOC3RIPK1TDP1TXNRD1HTR2A
SCHEMBL5361268 1.00 AOC3 (0.53) AOC3RIPK1TDP1TXNRD1HTR2A
SCHEMBL2532097 0.88 AOC3 (0.42) AOC3SLC6A4ADRB2ADRB1ADRB3
SCHEMBL2532624 0.87 TAAR1 (0.39) AOC3TDP1ADRB2
SCHEMBL2532879 0.86 AKR1C3 (0.42) AOC3
SCHEMBL2526376 0.86 KMT2A (0.46) AOC3RIPK1TDP1
SCHEMBL4352299 0.86 AOC3 (0.53) AOC3
SCHEMBL1979471 0.86 MEN1 (0.43) AOC3CTSSCTSK
SCHEMBL20611086 0.85 AOC3 (0.50) AOC3RIPK1SLC6A4
SCHEMBL3722932 0.85 AOC3 (0.50) AOC3RIPK1SLC6A4

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 522/4885RIPK1 1820/4885TDP1 4608/4885

“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.