SCHEMBL8265372

SCHEMBL8265372

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1noc2ccc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.39
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
FAAH O00519 1/20 0.36
AAK1 Q2M2I8 3/20 0.36
PIM1 P11309 1/20 0.35
PDPK1 O15530 1/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
BRD4 O60885 1/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
TP53 P04637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL10184876 0.90 SOS1 (0.39) SOS1MAPTTSHRALDH1A1HTT
SCHEMBL1759441 0.86 MAPT (0.46) MAPTFAAHTP53
SCHEMBL14933657 0.86 ESR1 (0.42) MAPTALDH1A1HTTFAAHPDPK1
SCHEMBL1759492 0.84 PDPK1 (0.35) MAPTALDH1A1FAAHPDPK1KMT2A
SCHEMBL12636119 0.81 HIF1A (0.38) MAPTTP53KDM4EKMT2A
SCHEMBL7239984 0.81 LMNA (0.43) MAPTALDH1A1HTTCA12CA9
SCHEMBL16880943 0.80 MAPT (0.46) MAPTHTTFAAHTP53KMT2A
SCHEMBL14920351 0.79 PIM1 (0.41) MAPTTSHRALDH1A1HTTPIM1
SCHEMBL16880936 0.79 AKT1 (0.35) MAPTFAAHPDPK1TP53
SCHEMBL26633227 0.79 ALDH1A1 (0.38) SOS1MAPTTSHRALDH1A1FAAH

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (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-20110263560-A1 Organic Compounds REN, ACE, OTC SOS1 4564/4885MAPT 1212/4885TSHR 2757/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO SOS1 4693/4885MAPT 1109/4885TSHR 3249/4885

“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.