SCHEMBL5354523

SCHEMBL5354523

NC(=O)CC(O)c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
DPP9 Q86TI2 1/20 0.42
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDE2A O00408 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ADRB2 P07550 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNN4 O15554 1/20 0.36

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
SCHEMBL11079923 0.84 CES2 (0.47) CES2CES1DPP9CYP3A4CYP2D6
SCHEMBL9160661 0.81 CES2 (0.45) CES2CES1DPP9CYP3A4CYP2D6
SCHEMBL7145782 0.80 ADRA2C (0.57) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL5225559 0.80 ADRA2C (0.57) CES2CES1CYP3A4CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL5354434 0.78 KDM4E (0.58) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL29658770 0.77 CES2 (0.64) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL5348191 0.77 CES2 (0.64) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL12303658 0.76 CES2 (0.49) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL19200282 0.75 CES2 (0.49) CES2CES1IDO1TDO2KCNN4
SCHEMBL18246483 0.75 CES2 (0.45) CES2CES1CYP3A4CYP2D6SLC6A2

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 CES2 3569/4885CES1 1837/4885DPP9 3699/4885

“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.