SCHEMBL2810319

SCHEMBL2810319

CC(C)(C)OC(=O)C(NCC(=O)O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 1/20 0.39
EPHX1 P07099 2/20 0.38
BTK Q06187 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
GAA P10253 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPHX2 P34913 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
THRB P10828 1/20 0.32
F2 P00734 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
SCHEMBL2809508 0.87 EPHX2 (0.44) NPR3EPHX1BTKAAK1GAA
SCHEMBL9556111 0.79 EPHX1 (0.42) NPR3EPHX1BTKAAK1GAA
SCHEMBL5974349 0.79 HCRTR2 (0.33) BTKGAA
SCHEMBL7433429 0.77 ALDH1A1 (0.40) NPR3EPHX1GAAEPHX2THRB
SCHEMBL8991906 0.75 ALDH1A1 (0.42) EPHX1EPHX2ITGB3ITGB1ITGAV
SCHEMBL9744954 0.75 NPR3 (0.41) NPR3EPHX1BTKAAK1GAA
SCHEMBL9744960 0.75 NPR3 (0.41) NPR3EPHX1BTKAAK1GAA
SCHEMBL4955605 0.73 EPHX1 (0.37) EPHX1BTKGAACTSSCTSK
SCHEMBL3183887 0.73 MEN1 (0.36) AAK1GAACTSSCTSKALDH1A1
SCHEMBL28485438 0.73 ALDH1A1 (0.41) NPR3EPHX1BTKGAACTSS

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
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
EP-2007788-A2 HCV INHIBITORS Novartis AG (CH) 2008-12-31 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
WO-2007121125-A2 HCV INHIBITORS 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 (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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 NPR3 4149/4885EPHX1 1057/4885BTK 2539/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 NPR3 2245/4885EPHX1 714/4885BTK 3308/4885

“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.