SCHEMBL1013868

SCHEMBL1013868

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.49
TACR1 P25103 3/20 0.47
STS P08842 1/20 0.44
NAMPT P43490 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
USP30 Q70CQ3 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL2935226 0.90 PPARG (0.48) PDE4BTACR1STSNAMPTJAK2
SCHEMBL1014375 0.90 PPARG (0.48) PDE4BTACR1STSNAMPTJAK2
SCHEMBL2934937 0.89 PPARG (0.47) TACR1STSNAMPTJAK2JAK1
SCHEMBL2934939 0.89 PPARG (0.47) TACR1STSNAMPTJAK2JAK1
SCHEMBL8263544 0.89 PPARG (0.47) TACR1STSNAMPTJAK2JAK1
SCHEMBL23951471 0.88 PDE4B (0.51) PDE4BTACR1STSNAMPTJAK2
SCHEMBL1011925 0.87 PDE4B (0.47) PDE4BTACR1NAMPT
SCHEMBL1573262 0.84 JAK2 (0.46) TACR1STSNAMPTJAK2JAK1
SCHEMBL1573158 0.84 JAK2 (0.46) TACR1STSNAMPTJAK2JAK1
SCHEMBL4505302 0.84 JAK2 (0.53) TACR1STSJAK2JAK1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 EP disclosed
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PDE4B 3578/4885TACR1 2139/4885STS 1434/4885

“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.