SCHEMBL5060468

SCHEMBL5060468

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
SLC6A2 P23975 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CHRND Q07001 1/20 0.45
PIN1 Q13526 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 2/20 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
SCHEMBL5315783 0.86 FFAR1 (0.43) CES2CES1MAOB
SCHEMBL5052427 0.81 MMP2 (0.47) CES2CES1SLC6A2SLC6A3MEN1
SCHEMBL5055096 0.79 CES2 (0.51) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL5055106 0.77 CYP2C9 (0.51) CES2CES1MEN1KMT2A
SCHEMBL19328342 0.77 CES2 (0.46) CES2CES1CHRNA1CHRNGCHRNB1
SCHEMBL19328345 0.77 TSHR (0.52) SLC6A2SLC6A3
SCHEMBL634189 0.75 CHRNA1 (0.58) CES2CES1CHRNA1CHRNGCHRNB1
SCHEMBL19328379 0.75 CES2 (0.45) CES2CES1SLC6A2SLC6A3MEN1
SCHEMBL5054802 0.74 ALKBH5 (0.47) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL19328352 0.74 KMT2A (0.47) CES2CES1SLC6A2SLC6A3SMN1; SMN2

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 5 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
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 1572/4885CHRNA1 218/4885

“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.