SCHEMBL4958895

SCHEMBL4958895

O=C(O)c1ccc(CN(C(=O)c2ccccc2)c2nnc(-c3cccc(Oc4ccccc4)c3)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.57
ALOX5 P09917 5/20 0.57
LPAR1 Q92633 2/20 0.46
LPAR5 Q9H1C0 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
LTC4S Q16873 1/20 0.46
S1PR1 P21453 9/20 0.45
STAT3 P40763 2/20 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
SCHEMBL6154059 0.79 PTGES (0.40) PTGESALOX5LPAR1LPAR5HSD17B10
SCHEMBL6154058 0.78 PTPN1 (0.41) PTGESALOX5LPAR1LPAR5S1PR1
SCHEMBL6154034 0.78 KMO (0.47) PTGESALOX5LPAR1LPAR5HSD17B10
SCHEMBL6153779 0.76 CSNK2A2 (0.48) PTGESALOX5HSD17B10
SCHEMBL6153971 0.72 S1PR1 (0.40) PTGESALOX5LPAR1LPAR5HSD17B10
SCHEMBL4958080 0.71 PTPN1 (0.45) HSD17B10
SCHEMBL5556519 0.69 MRGPRX4 (0.45) LPAR1S1PR1
SCHEMBL6155905 0.68 NPC1 (0.50) HSD17B10
SCHEMBL8188275 0.67 S1PR1 (0.63) HSD17B10MAPTS1PR1
SCHEMBL5042492 0.67 SRD5A2 (0.65) PTGESALOX5

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 9 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 claimed
EP-1841749-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES Metabasis Therapeutics, Inc. (US) 2007-10-10 EP claimed
US-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-08-31 US claimed
WO-2006028970-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-03-16 WO claimed
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 PTGES 3133/4885ALOX5 4447/4885LPAR1 4215/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 PTGES 3133/4885ALOX5 4447/4885LPAR1 4215/4885

“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.