SCHEMBL1013664

SCHEMBL1013664

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.52
PDE4B Q07343 5/20 0.50
NAMPT P43490 1/20 0.39
TACR1 P25103 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.37
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL31153831 0.87 NR1H2 (0.46) NR1H2PDE4BUSP2SMN1; SMN2EPHX1
SCHEMBL22160720 0.86 PDE4B (0.58) NR1H2PDE4BNAMPTUSP2SMN1; SMN2
SCHEMBL18725620 0.86 PDE4B (0.58) NR1H2PDE4BNAMPTUSP2SMN1; SMN2
SCHEMBL22160718 0.86 PDE4B (0.58) NR1H2PDE4BNAMPTUSP2SMN1; SMN2
SCHEMBL3371558 0.86 NR1H2 (0.50) NR1H2PDE4BNAMPTTACR1USP2
SCHEMBL19097922 0.85 NR1H2 (0.55) NR1H2PDE4BNAMPTTACR1USP2
SCHEMBL13068627 0.85 NR1H2 (0.55) NR1H2PDE4BNAMPTTACR1USP2
SCHEMBL1014216 0.84 NR1H2 (0.65) NR1H2PDE4BNAMPTUSP2SMN1; SMN2
SCHEMBL30721755 0.84 NR1H2 (0.65) NR1H2PDE4BNAMPTUSP2SMN1; SMN2
SCHEMBL2930155 0.84 NR1H2 (0.65) NR1H2PDE4BNAMPTUSP2SMN1; SMN2

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 7 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
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 NR1H2 531/4885PDE4B 3578/4885NAMPT 1593/4885

“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.