SCHEMBL2809508

SCHEMBL2809508

COC(=O)CNC(C(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
NPR3 P17342 1/20 0.39
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA14 Q9ULX7 1/20 0.37
EPHX1 P07099 2/20 0.37
AAK1 Q2M2I8 1/20 0.35
GAA P10253 1/20 0.35
CACNA1B Q00975 2/20 0.34
THRB P10828 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
BTK Q06187 1/20 0.33
REN P00797 2/20 0.33

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
SCHEMBL2810319 0.87 NPR3 (0.39) EPHX2NPR3EPHX1AAK1GAA
SCHEMBL7433429 0.82 ALDH1A1 (0.40) EPHX2NPR3EPHX1GAATHRB
SCHEMBL8442372 0.80 SLC6A3 (0.36)
SCHEMBL5532288 0.79 CTSK (0.41) EPHX2CA12CA2CA14EPHX1
SCHEMBL9556111 0.78 EPHX1 (0.42) NPR3EPHX1AAK1GAACACNA1B
SCHEMBL5527340 0.78 CTSK (0.40) EPHX2CA12CA2CA14EPHX1
SCHEMBL1163035 0.74 MMP13 (0.35) AAK1GAA
SCHEMBL7424499 0.73 CA12 (0.44) CA12CA2CA14
SCHEMBL10566189 0.73 EPHX2 (0.53) EPHX2CA12CA2EPHX1
SCHEMBL24103813 0.71 AAK1 (0.49) CA12CA2CA14EPHX1AAK1

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 EPHX2 2031/4885NPR3 4149/4885CA12 2033/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 EPHX2 1389/4885NPR3 2245/4885CA12 886/4885

“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.