SCHEMBL869094

SCHEMBL869094

CC(C)(C)c1nc(N(C(=O)O)C(=O)O)c2c(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c(C(C)(C)C)oc2c1C#N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 10/20 0.46
MAPK1 P28482 1/20 0.36
S1PR1 P21453 7/20 0.35
PIK3CD O00329 1/20 0.34
CYP3A4 P08684 1/20 0.34
PIK3CB P42338 1/20 0.34
RIPK1 Q13546 1/20 0.34
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL869493 0.91 EIF2AK3 (0.47) EIF2AK3MAPK1S1PR1PIK3CDCYP3A4
SCHEMBL869247 0.82 EIF2AK3 (0.39) EIF2AK3MAPK1PIK3CDCYP3A4PIK3CB
SCHEMBL868753 0.78 EIF2AK3 (0.37) EIF2AK3MAPK1CYP3A4RIPK1
SCHEMBL14655668 0.73 EIF2AK3 (0.60) EIF2AK3MAPK1S1PR1PIK3CDCYP3A4
SCHEMBL14655630 0.70 EIF2AK3 (0.61) EIF2AK3MAPK1PIK3CDCYP3A4PIK3CB
SCHEMBL869093 0.68 EIF2AK3 (0.55) EIF2AK3MAPK1S1PR1RIPK1
SCHEMBL13861216 0.66 EIF2AK3 (0.61) EIF2AK3MAPK1RIPK1
SCHEMBL869218 0.65 EIF2AK3 (0.72) EIF2AK3RIPK1
SCHEMBL869492 0.65 EIF2AK3 (0.56) EIF2AK3MAPK1RIPK1
SCHEMBL16156132 0.64 EIF2AK3 (0.58) EIF2AK3MAPK1PIK3CDCYP3A4PIK3CB

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
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885MAPK1 5/4885S1PR1 961/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885MAPK1 5/4885S1PR1 961/4885

“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.