SCHEMBL869571

SCHEMBL869571

CC(C)(C)OC(=O)N1CCc2cc(-c3coc4c(I)cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c34)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B1 P15538 10/20 0.35
CYP11B2 P19099 10/20 0.35
EIF2AK3 Q9NZJ5 2/20 0.35
USP30 Q70CQ3 1/20 0.35
DHODH Q02127 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
CSNK2A1 P68400 2/20 0.33
CSNK2A2 P19784 1/20 0.32

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
SCHEMBL867820 0.90 BRD4 (0.39) BRD4NPC1CYP1A2CYP3A4MAPT
SCHEMBL869060 0.87 EIF2AK3 (0.43) BRD4NPC1CYP1A2CYP3A4MAPT
SCHEMBL869492 0.85 EIF2AK3 (0.56) EIF2AK3
SCHEMBL869093 0.75 EIF2AK3 (0.55) EIF2AK3
SCHEMBL2373042 0.75 EIF2AK3 (0.43) NPC1MAPTRAB9ASMN1; SMN2EIF2AK3
SCHEMBL868758 0.74 BRD4 (0.39) BRD4NPC1CYP1A2CYP3A4MAPT
SCHEMBL870192 0.74 EIF2AK3 (0.61) BRD4NPC1CYP1A2CYP3A4MAPT
SCHEMBL14655630 0.72 EIF2AK3 (0.61) CYP3A4CYP11B1CYP11B2EIF2AK3
SCHEMBL868752 0.72 EIF2AK3 (0.42) CYP3A4CYP2C9EIF2AK3
SCHEMBL14655508 0.71 CDK9 (0.31)

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 BRD4 1064/4885NPC1 564/4885CYP1A2 1446/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R BRD4 1064/4885NPC1 564/4885CYP1A2 1446/4885

“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.