SCHEMBL319420

SCHEMBL319420

CC[C@H](Nc1cc(C#CC(C)(C)C)sc1C(=O)OC)C(=O)N(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 5/20 0.34
MAPK14 Q16539 3/20 0.33
RAF1 P04049 4/20 0.31
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
KDM4E B2RXH2 2/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL319419 1.00 TBK1 (0.34) TBK1MAPK14RAF1LMNAMAPT
SCHEMBL324976 0.91 TBK1 (0.37) TBK1MAPK14RAF1MAPK13MAPK12
SCHEMBL670419 0.88 MAPK14 (0.34) MAPK14RAF1LMNAMAPTMAPK13
SCHEMBL15130800 0.88 MAPK14 (0.34) MAPK14RAF1LMNAMAPTNPSR1
SCHEMBL670420 0.88 MAPK14 (0.34) MAPK14RAF1LMNAMAPTMAPK13
SCHEMBL318825 0.86 RAF1 (0.32) TBK1MAPK14RAF1MAPK13MAPK12
SCHEMBL325987 0.85 MAPK14 (0.33) MAPK14RAF1LMNAMAPTMAPK13
SCHEMBL325986 0.85 MAPK14 (0.33) MAPK14RAF1LMNAMAPTMAPK13
SCHEMBL15130923 0.84 TBK1 (0.32) TBK1MAPK14RAF1MAPK13MAPK12
SCHEMBL15130865 0.84 TBK1 (0.32) TBK1MAPK14RAF1MAPK13MAPK12

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-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
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
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 TBK1 188/4885MAPK14 811/4885RAF1 2508/4885

“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.