SCHEMBL868758

SCHEMBL868758

CC(C)(C)OC(=O)Nc1ncc(Cl)c2occ(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
USP30 Q70CQ3 2/20 0.36
CYP11B1 P15538 5/20 0.35
CYP11B2 P19099 5/20 0.35
EIF2AK3 Q9NZJ5 3/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
UCHL1 P09936 1/20 0.33
ATAD2 Q6PL18 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
SCHEMBL867820 0.84 BRD4 (0.39) BRD4USP30CYP11B1CYP11B2EIF2AK3
SCHEMBL869060 0.77 EIF2AK3 (0.43) BRD4CYP11B1CYP11B2EIF2AK3NPC1
SCHEMBL869571 0.74 BRD4 (0.39) BRD4USP30CYP11B1CYP11B2EIF2AK3
SCHEMBL870192 0.74 EIF2AK3 (0.61) BRD4USP30CYP11B1CYP11B2EIF2AK3
SCHEMBL21056563 0.69 CYP11B2 (0.53) BRD4CYP11B1CYP11B2
SCHEMBL17794739 0.69 BRD4 (0.49) BRD4USP30CYP11B1CYP11B2NPC1
SCHEMBL16441383 0.68 XIAP (0.49) MAPTDHODHGPR119
SCHEMBL31492094 0.68 XIAP (0.49) MAPTDHODHGPR119
SCHEMBL23063853 0.68 HDAC1 (0.52) BRD4USP30CYP11B1CYP11B2NPC1
SCHEMBL27975558 0.68 NOTUM (0.65) DHODHGPR119

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 1064/4885USP30 1907/4885CYP11B1 341/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R BRD4 1064/4885USP30 1907/4885CYP11B1 341/4885

“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.