SCHEMBL1013992

SCHEMBL1013992

CC(C)(C)OC(=O)N1C[C@H](CCc2ccc3ccccc3c2)[C@@H](C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.47
PPARA Q07869 11/20 0.47
TACR1 P25103 2/20 0.42
PDE4B Q07343 2/20 0.40
ADAM17 P78536 1/20 0.40
NAMPT P43490 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL1011925 0.90 PDE4B (0.47) PPARGPPARATACR1PDE4BADAM17
SCHEMBL1014375 0.88 PPARG (0.48) PPARGPPARATACR1PDE4BNAMPT
SCHEMBL2935226 0.88 PPARG (0.48) PPARGPPARATACR1PDE4BNAMPT
SCHEMBL8228424 0.84 CYP1A2 (0.45) PPARGPPARA
SCHEMBL1013663 0.81 ACHE (0.44) PPARGPPARATACR1ADAM17NAMPT
SCHEMBL4505302 0.80 JAK2 (0.53) PPARGPPARATACR1
SCHEMBL22160548 0.80 TACR1 (0.49) TACR1ADAM17NAMPTNR1H2
SCHEMBL22160551 0.80 TACR1 (0.49) TACR1ADAM17NAMPTNR1H2
SCHEMBL22160546 0.80 TACR1 (0.49) TACR1ADAM17NAMPTNR1H2
SCHEMBL2934459 0.79 STS (0.48) PPARGPPARATACR1NAMPT

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 PPARG 305/4885PPARA 593/4885TACR1 2139/4885

“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.