SCHEMBL5355451

SCHEMBL5355451

CC(C)C(=O)c1cc(S(=O)(=O)NCCCc2ccc(F)cc2)c(NC(=O)OC(C)(C)C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
GNRHR P30968 1/20 0.35
CA2 P00918 4/20 0.35
ALDH1A1 P00352 1/20 0.34
CA1 P00915 2/20 0.34
GAA P10253 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
SCHEMBL5357086 0.90 POLB (0.41) NR1H2POLBTDP1CYP1A2CYP2D6
SCHEMBL5350793 0.85 L3MBTL1 (0.40) NR1H2POLBTDP1CYP1A2CYP2D6
SCHEMBL5355445 0.83 TP53 (0.38) POLBCTSSCTSKKCNQ4KCNQ5
SCHEMBL5354804 0.83 GNRHR (0.35) NR1H2POLBTDP1CYP1A2CYP2D6
SCHEMBL5348115 0.81 RORC (0.33) RORC
SCHEMBL5350424 0.75 RORC (0.36) RORC
SCHEMBL5354265 0.72 KCNQ4 (0.38) POLBCTSSCTSKKCNQ4KCNQ5
SCHEMBL5348107 0.71 TP53 (0.31) KCNQ4KCNQ5RORC
SCHEMBL5359309 0.70 CTSS (0.33) NR1H2POLBTDP1CYP1A2CYP2D6
SCHEMBL3437047 0.69 GAA (0.56) POLBTDP1CTSSCTSKCA2

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 NR1H2 163/4885POLB 4113/4885TDP1 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.