Sugi Predict

Sugi Predict / Compounds / SCHEMBL4955586

SCHEMBL4955586

SCHEMBL4955586

COP(=O)(O)C(F)(F)c1ccc(CN(c2ccc(Cl)c(Cl)c2)c2nnc(-c3cccc(Oc4cccc(C(=O)O)c4)c3)s2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMO O15229 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HDAC1 Q13547 8/20 0.33
▸ HDAC2 Q92769 8/20 0.33
▸ HDAC8 Q9BY41 4/20 0.33
▸ HDAC6 Q9UBN7 4/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32

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
SCHEMBL4959788 0.93 PTPN1 (0.38) NPC1KMOHSD17B10LMNAHPGD
SCHEMBL4957662 0.90 NR1H2 (0.37) NPC1RAB9AHSD17B10LMNAHPGD
SCHEMBL4954946 0.87 PTPN1 (0.39) NPC1HSD17B10LMNAHPGDHDAC1
SCHEMBL4957299 0.87 PTPN1 (0.39) NPC1RAB9AKMOHSD17B10LMNA
SCHEMBL4959804 0.87 CETP (0.36) NPC1RAB9AHSD17B10LMNAHPGD
SCHEMBL4955542 0.87 KMO (0.38) NPC1RAB9AKMOHSD17B10LMNA
SCHEMBL4956777 0.86 PTPN1 (0.41) NPC1RAB9AHSD17B10LMNAHPGD
SCHEMBL4957509 0.86 PTPN1 (0.38) NPC1RAB9AHSD17B10LMNAHPGD
SCHEMBL4955425 0.86 NPC1 (0.31) NPC1HSD17B10LMNAHPGD
SCHEMBL4957207 0.84 KMO (0.36) NPC1RAB9AKMOHSD17B10LMNA

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 4858/4885RAB9A 2890/4885KMO 2747/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 NPC1 4858/4885RAB9A 2890/4885KMO 2747/4885

“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.