SCHEMBL1013744

SCHEMBL1013744

CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.51
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GAA P10253 2/20 0.37
MAOA P21397 1/20 0.36
CTSK P43235 2/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL30565029 0.90 BTK (0.55) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL20883075 0.90 BTK (0.57) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL478960 0.90 BTK (0.57) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL22494594 0.90 BTK (0.57) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL31520041 0.90 BTK (0.57) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL30505491 0.90 BTK (0.57) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL25392818 0.88 BTK (0.52) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL1988095 0.86 BTK (0.47) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL8222296 0.86 NFKB1 (0.41) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL1014519 0.86 NFKB1 (0.41) BTKNFKB1NFKB2RELAKDM1A

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 5 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
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 BTK 3308/4885NFKB1 2029/4885NFKB2 2310/4885

“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.