SCHEMBL5055096

SCHEMBL5055096

O=C(O)CC(Br)C(=O)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.51
CES1 P23141 2/20 0.51
PARP1 P09874 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
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
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
KCNK3 O14649 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
PLA2G7 Q13093 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40

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
SCHEMBL3730123 0.83 CES2 (0.54) CES2CES1PARP1HDAC1HDAC6
SCHEMBL5054802 0.81 ALKBH5 (0.47) CES2CES1KMT2AMEN1L3MBTL1
SCHEMBL5316600 0.80 LMNA (0.49) CES2CES1PARP1CHRNB2SLC6A2
SCHEMBL5052427 0.80 MMP2 (0.47) CES2CES1SLC6A2SLC6A3KMT2A
SCHEMBL3362925 0.79 CES2 (0.61) CES2CES1PARP1HDAC1HDAC6
SCHEMBL5060468 0.79 CES2 (0.50) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL5316414 0.77 CES2 (0.50) CES2CES1PARP1HDAC1HDAC6
SCHEMBL312334 0.76 CES2 (0.57) CES2CES1PARP1HDAC1HDAC6
SCHEMBL28075891 0.76 CES2 (0.57) CES2CES1PARP1HDAC1HDAC6
SCHEMBL11088672 0.76 TP53 (0.58) CES2CES1SLC6A2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119456-A1 Substituted Thiazoleacetic Acid as Crth2 Ligands 7TM PHARMA A/S (DK) 2008-05-22 US disclosed
US-20080119456-A1 Substituted Thiazoleacetic Acid as Crth2 Ligands 7TM PHARMA A/S (DK) 2008-05-22 US disclosed
US-20080119456-A1 Substituted Thiazoleacetic Acid as Crth2 Ligands 7TM PHARMA A/S (DK) 2008-05-22 US disclosed
CN-1980908-A Substituted thiazoleacetic as CRTH2 ligands 7TM PHARMA AS (DK) 2007-06-13 CN disclosed
WO-2007062797-A1 AMINO-SUBSTITUTED AZO-HETEROCYCLIC COMPOUNDS FOR TREATING INFLAMMATORY CONDITIONS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed
WO-2007062797-A1 AMINO-SUBSTITUTED AZO-HETEROCYCLIC COMPOUNDS FOR TREATING INFLAMMATORY CONDITIONS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed
EP-1758874-A1 SUBSTITUTED THIAZOLEACETIC ACIDS AS CRTH2 LIGANDS 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005116001-A1 SUBSTITUTED THIAZOLEACETIC AS CRTH2 LIGANDS 7TM PHARMA A/S (DK) 2005-12-08 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-20080119456-A1 Substituted Thiazoleacetic Acid as Crth2 Ligands HRH1, HRH2, HRH3 CES2 1971/4885CES1 1572/4885PARP1 4569/4885

“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.