SCHEMBL5350831

SCHEMBL5350831

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
POLB P06746 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNA5 P22460 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
EPHX2 P34913 2/20 0.39
IDO1 P14902 1/20 0.39
DRD2 P14416 1/20 0.39
BRD4 O60885 1/20 0.38
GPR88 Q9GZN0 1/20 0.38

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
SCHEMBL25496751 0.93 GAA (0.55) MEN1KMT2AGAACTSSCTSK
SCHEMBL30334617 0.86 DRD2 (0.49) MEN1KMT2AGAAMALT1TDP1
SCHEMBL30334063 0.86 DRD2 (0.49) MEN1KMT2AGAAMALT1TDP1
SCHEMBL24298860 0.86 MEN1 (0.46) MEN1KMT2AGAAMALT1TDP1
SCHEMBL3650901 0.86 DRD2 (0.49) MEN1KMT2AGAAMALT1TDP1
SCHEMBL19331769 0.86 FPR3 (0.47) MEN1KMT2AGAACTSSCTSK
SCHEMBL2434610 0.86 CTSS (0.45) GAACTSSCTSKPOLB
SCHEMBL16363856 0.86 CTSS (0.45) GAACTSSCTSKPOLB
SCHEMBL16084764 0.86 RIPK1 (0.53) MEN1KMT2AGAACTSSCTSK
SCHEMBL1521024 0.86 RIPK1 (0.53) MEN1KMT2AGAACTSSCTSK

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 MEN1 3783/4885KMT2A 649/4885GAA 1738/4885

“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.