SCHEMBL4955425

SCHEMBL4955425

CC(C)(C)C(=O)OCOC(=O)c1cccc(Oc2cccc(-c3nnc(N(Cc4ccc(C(F)(F)P(=O)(O)OCOC(=O)C(C)(C)C)c(Br)c4)c4ccc(Cl)c(Cl)c4)s3)c2)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4957662 0.86 NR1H2 (0.37) NPC1LMNAHPGDHSD17B10
SCHEMBL4955586 0.86 NPC1 (0.36) NPC1LMNAHPGDHSD17B10
SCHEMBL4959788 0.84 PTPN1 (0.38) NPC1LMNAHPGDHSD17B10
SCHEMBL4959804 0.84 CETP (0.36) NPC1LMNAHPGDHSD17B10
SCHEMBL4955510 0.81 NR1H2 (0.38) NPC1LMNAHPGDHSD17B10
SCHEMBL4955089 0.79 PTPN1 (0.39)
SCHEMBL4956095 0.79 PTPN2 (0.31) HSD17B10
SCHEMBL4954946 0.78 PTPN1 (0.39) NPC1LMNAHPGDHSD17B10
SCHEMBL4955416 0.78 CETP (0.38) NPC1LMNAHPGDHSD17B10
SCHEMBL4957299 0.78 PTPN1 (0.39) NPC1LMNAHPGDHSD17B10

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 NPC1 4858/4885LMNA 4816/4885HPGD 2505/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 NPC1 4858/4885LMNA 4816/4885HPGD 2505/4885

“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.