SCHEMBL2582326

SCHEMBL2582326

O=C(O)CC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.57
CES2 O00748 2/20 0.57
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRND Q07001 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
DPP4 P27487 1/20 0.43
VNN1 O95497 1/20 0.42
KCNQ3 O43525 4/20 0.41
KCNQ2 O43526 4/20 0.41
KCNQ5 Q9NR82 1/20 0.41
KMT2A Q03164 4/20 0.41

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
SCHEMBL4712029 0.83 NPC1 (0.47) NPC1RAB9AKCNQ3KCNQ2KMT2A
SCHEMBL727030 0.82 CES2 (0.55) CES1CES2RAB9AKMT2AGAA
SCHEMBL23709229 0.82 CES2 (0.55) CES1CES2CHRNA1CHRNGCHRNB1
SCHEMBL7875339 0.82 CES2 (0.50) CES1CES2CHRNA1CHRNGCHRNB1
Acetoacetic Acid SCHEMBL28005292 0.81 CES2 (0.46) CES1CES2CHRNA1CHRNGCHRNB1
SCHEMBL20491395 0.79 CES2 (0.52) CES1CES2CHRNA1CHRNGCHRNB1
SCHEMBL6359903 0.79 HDAC6 (0.55) CES1CES2NPC1RAB9AKMT2A
SCHEMBL25193546 0.79 MEN1 (0.54) CES1CES2CHRNA1CHRNGCHRNB1
SCHEMBL1925141 0.79 PLOD2 (0.66) CES1CES2CHRNA1CHRNGCHRNB1
SCHEMBL5253742 0.79 CES2 (0.61) CES1CES2CHRNA1CHRNGCHRNB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
CN-103153999-B Compounds as cannabinoid receptor-1 inhibitors AMOREPACIFIC CORP. (KR) 2016-06-01 CN disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
EP-1926719-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-04 EP disclosed
WO-2007031440-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 WO 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 CES1 449/4885CES2 1240/4885CHRNA1 4/4885

“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.