SCHEMBL5060223

SCHEMBL5060223

COc1ccc(C(=O)C(Br)CC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
GSK3B P49841 1/20 0.50
PDE4B Q07343 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL1108991 0.85 ALDH1A1 (0.55) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL2097664 0.83 ALDH1A1 (0.60) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL10931231 0.82 SRD5A2 (0.50) ALDH1A1PARP10FFAR1
SCHEMBL514175 0.81 ALDH1A1 (0.58) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL8213432 0.81 ALDH1A1 (0.54) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL19328352 0.81 KMT2A (0.47) ALDH1A1GSK3BCES2CES1MEN1
SCHEMBL1258169 0.80 HPGD (0.54) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL4932919 0.80 SLC6A2 (0.57) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL25545681 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL1303238 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2CA1CA2CES2

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-10080757-B2 Inhibitors of UDP-galactopyranose mutase WISCONSIN ALUMNI RESEARCH FOUNDATION 2018-09-25 US disclosed
US-20170258805-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-09-14 US disclosed
US-20170258805-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-09-14 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
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 (3 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-20170258805-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE UGDH, GALE, UGGT1 ALDH1A1 726/4885CYP1A2 2763/4885CA1 4286/4885
US-10080757-B2 Inhibitors of UDP-galactopyranose mutase UGDH, GALE, UGGT1 ALDH1A1 726/4885CYP1A2 2763/4885CA1 4286/4885
US-20080119456-A1 Substituted Thiazoleacetic Acid as Crth2 Ligands HRH1, HRH2, HRH3 ALDH1A1 832/4885CYP1A2 1022/4885CA1 1859/4885

“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.