SCHEMBL325319

SCHEMBL325319

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.31
MAPK14 Q16539 2/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
CYP2D6 P10635 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
SCHEMBL325318 1.00 RAF1 (0.31) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10265133 0.85 NR1I2 (0.31) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL937253 0.84 RAF1 (0.32) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL937254 0.84 RAF1 (0.32) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14645197 0.83 RAF1 (0.35) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL325105 0.82 RAF1 (0.31) RAF1
SCHEMBL15130829 0.82 NPR3 (0.35) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL325208 0.82 CYP2E1 (0.38) RAF1
SCHEMBL10265424 0.81 MAPK14 (0.47) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL325986 0.81 MAPK14 (0.33) RAF1MAPK14MAPK13MAPK12MAPK11

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-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

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 RAF1 2508/4885MAPK14 811/4885MAPK13 1449/4885

“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.