SCHEMBL5354804

SCHEMBL5354804

C=C(O[Si](C)(C)C(C)(C)C)c1cc(S(=O)(=O)NCCCc2ccc(F)cc2)c(NC(=O)OC(C)(C)C)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.35
NR1H2 P55055 1/20 0.35
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
GLS O94925 1/20 0.32
RORC P51449 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32

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 0.85 POLB (0.41) GNRHRNR1H2POLBGAACYP1A2
SCHEMBL5354604 0.85 KCNQ4 (0.34) GNRHRPOLBGAACYP2C19KCNQ4
SCHEMBL5355451 0.83 NR1H2 (0.38) GNRHRNR1H2POLBGAACYP1A2
SCHEMBL5350793 0.81 L3MBTL1 (0.40) GNRHRNR1H2POLBGAACYP1A2
SCHEMBL5350424 0.70 RORC (0.36) RORC
SCHEMBL5354265 0.69 KCNQ4 (0.38) POLBGAAKCNQ4KCNQ5RORC
SCHEMBL5355445 0.67 TP53 (0.38) POLBKCNQ4KCNQ5RORCCA2
SCHEMBL5359309 0.66 CTSS (0.33) NR1H2POLBCYP1A2CYP2D6CYP2C19
SCHEMBL3437047 0.66 GAA (0.56) POLBGAATDP1CA1CA2
SCHEMBL5348635 0.66 KDM1A (0.33) GNRHRNR1H2POLBCYP1A2CYP2D6

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 GNRHR 3735/4885NR1H2 163/4885POLB 4113/4885

“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.