SCHEMBL4955562

SCHEMBL4955562

O=C(CBr)c1ccc(CO)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.46
GSK3B P49841 10/20 0.46
ACE2 Q9BYF1 3/20 0.38
GNG2 P59768 1/20 0.37
GNB1 P62873 1/20 0.37
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL8482490 0.83 ACE2 (0.50) PTPN1ACE2CDC25ACDC25BHSD17B10
SCHEMBL11620041 0.80 HPGD (0.47) ACE2HSD17B10
SCHEMBL3947199 0.79 PTPN1 (0.52) PTPN1GSK3BHSD17B10PKM
SCHEMBL4959239 0.79 PKM (0.58) ACE2PKM
SCHEMBL18398130 0.77 GSK3B (0.53) PTPN1GSK3B
SCHEMBL1367013 0.77 PTPN1 (0.53) PTPN1GSK3BGNG2GNB1PKM
SCHEMBL16140760 0.77 GSK3B (0.53) PTPN1GSK3BACE2GNG2GNB1
SCHEMBL11619384 0.76 KDM4E (0.54) CDC25ACDC25BHSD17B10
SCHEMBL469649 0.75 PKM (0.62) PTPN1GSK3BPKM
SCHEMBL16056966 0.75 GSK3B (0.55) PTPN1GSK3BGNG2GNB1

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-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES IMPINJ, INC. 2008-08-21 US disclosed
US-7381736-B2 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1841749-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES Metabasis Therapeutics, Inc. (US) 2007-10-10 EP disclosed
US-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-08-31 US disclosed
WO-2006028970-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-03-16 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 (2 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-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases PTPN1, PTPN5, PTPN18 PTPN1 1/4885GSK3B 502/4885ACE2 1398/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 PTPN1 1/4885GSK3B 502/4885ACE2 1398/4885

“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.