SCHEMBL325498

SCHEMBL325498

COC(=O)c1sc(C#CC(C)(C)C)cc1N[C@@H](COC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.32
KEAP1 Q14145 1/20 0.32
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
MAPK14 Q16539 3/20 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
SCHEMBL325497 1.00 LIPG (0.32) LIPGKEAP1GRNSORT1MAPK14
SCHEMBL325986 0.90 MAPK14 (0.33) MAPK14
SCHEMBL325987 0.90 MAPK14 (0.33) MAPK14
SCHEMBL15130829 0.82 NPR3 (0.35) MAPK14
SCHEMBL670419 0.82 MAPK14 (0.34) MAPK14
SCHEMBL670420 0.82 MAPK14 (0.34) MAPK14
SCHEMBL326075 0.81 RAF1 (0.35) KEAP1MAPK14
SCHEMBL325105 0.80 RAF1 (0.31)
SCHEMBL325219 0.80 NR1I2 (0.35)
SCHEMBL15130800 0.80 MAPK14 (0.34) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
EP-2585447-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-05-01 EP disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 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 (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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SLC10A1, ACE, CEL LIPG 71/4885KEAP1 665/4885GRN 1307/4885

“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.