SCHEMBL3610450

SCHEMBL3610450

CC(C)(C)OC(=O)CN=C=S

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
CYP2D6 P10635 1/20 0.31
DGAT1 O75907 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL2889944 0.81 CYP2D6 (0.35) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL8455009 0.80 KEAP1 (0.40) KEAP1NFE2L2HDAC3HDAC1HDAC2
SCHEMBL544155 0.76
SCHEMBL10512876 0.75 DGAT1 (0.36) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL14945698 0.73 DGAT1 (0.34) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL2042195 0.72
SCHEMBL1186917 0.72
SCHEMBL6894335 0.72 KEAP1 (0.36) KEAP1NFE2L2
SCHEMBL12033651 0.71 DGAT1 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL17643549 0.71 CYP2D6 (0.37) CYP2D6DGAT1HDAC3HDAC1HDAC2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 US disclosed
US-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 US disclosed
US-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 US disclosed
WO-2008086854-A1 5-([1,3,4] OXADIAZOL-2-YL)-1H-INDAZOL AND 5-([1,3,4] THIADIAZOL-2-YL)-1H-INDAZOL DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2008-07-24 WO disclosed
US-4576749-A 3-Acylamino-1-carboxymethylaminocarbonyl-2-azetidinones E. R. SQUIBB & SONS, INC. (US) 1986-03-18 US disclosed
EP-0138407-A1 Azetidinones E.R. Squibb & Sons, Inc. (US) 1985-04-24 EP 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 (1 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-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES SGK2, SGK1, SGK3 KEAP1 797/4885NFE2L2 2203/4885CYP2D6 2660/4885

“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.