Sugi Predict

Sugi Predict / Compounds / SCHEMBL4959804

SCHEMBL4959804

SCHEMBL4959804

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.36
▸ NR1H2 P55055 4/20 0.35
▸ NR1H3 Q13133 3/20 0.35
▸ NPC1 O15118 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ S1PR1 P21453 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ USP2 O75604 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
SCHEMBL4955416 0.94 CETP (0.38) CETPNR1H2NR1H3NPC1HSD17B10
SCHEMBL4957662 0.92 NR1H2 (0.37) CETPNR1H2NR1H3NPC1HSD17B10
SCHEMBL4956085 0.89 ROCK2 (0.31) HSD17B10ROCK2ROCK1
SCHEMBL4955586 0.87 NPC1 (0.36) CETPNR1H2NR1H3NPC1HSD17B10
SCHEMBL4955510 0.86 NR1H2 (0.38) CETPNR1H2NR1H3NPC1HSD17B10
SCHEMBL4959260 0.86 ROCK2 (0.31) ROCK2ROCK1
SCHEMBL4959788 0.85 PTPN1 (0.38) NPC1HSD17B10HPGDLMNA
SCHEMBL4955425 0.84 NPC1 (0.31) NPC1HSD17B10HPGDLMNA
SCHEMBL4957665 0.83 HSD17B10 (0.35) CETPNR1H2NR1H3NPC1HSD17B10
SCHEMBL4955089 0.80 PTPN1 (0.39) NR1H2NR1H3

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 CETP 4018/4885NR1H2 4835/4885NR1H3 4865/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 CETP 4018/4885NR1H2 4835/4885NR1H3 4865/4885

“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.