SCHEMBL4959239

SCHEMBL4959239

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
AKR1C3 P42330 17/20 0.50
AKR1C2 P52895 17/20 0.50
AKR1B10 O60218 2/20 0.45
AKR1B1 P15121 2/20 0.45
AKR1C4 P17516 2/20 0.45
AKR1C1 Q04828 2/20 0.45
CDK2 P24941 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL13714204 0.87 AKR1C3 (0.51) PKMAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL8482490 0.86 ACE2 (0.50) PKMACE2
SCHEMBL8483426 0.81 KDM4E (0.47) CDK2
SCHEMBL6883303 0.81 HSD17B10 (0.51) PKMAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL11621722 0.81 AKR1C3 (0.47) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL18073734 0.80 PKM (0.71) PKMACE2
SCHEMBL11620041 0.80 HPGD (0.47) ACE2
SCHEMBL4955562 0.79 PTPN1 (0.46) PKMACE2
SCHEMBL11619384 0.79 KDM4E (0.54) AKR1C3
SCHEMBL5066588 0.78 AKR1C3 (0.44) PKMAKR1C3AKR1C2AKR1B10AKR1B1

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 PKM 1587/4885AKR1C3 4294/4885AKR1C2 4223/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 PKM 1587/4885AKR1C3 4294/4885AKR1C2 4223/4885

“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.