SCHEMBL2810316

SCHEMBL2810316

CC(C)(C)OC(=O)N(CC(=O)O)CC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ALOX5 P09917 3/20 0.35
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
CA14 Q9ULX7 1/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.32
CNR2 P34972 1/20 0.32
BTK Q06187 1/20 0.31

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
SCHEMBL6680983 0.98 CTSK (0.37) CTSSCTSKALOX5HTR2CSLC6A4
SCHEMBL31599786 0.94 CNR2 (0.35) CTSSCTSKALOX5CA14CNR2
SCHEMBL15166440 0.87 SLC6A1 (0.36) SLC6A4CA14CNR2
SCHEMBL8165566 0.86 ALOX5 (0.41) CTSSCTSKALOX5HTR2CSLC6A4
SCHEMBL2809512 0.85 EPHX2 (0.35) CTSSCTSKALOX5HTR2CSLC6A4
SCHEMBL7279823 0.84 EPHX2 (0.37) CTSSCTSKALOX5HTR2CSLC6A4
SCHEMBL4780561 0.83 ALOX5 (0.39) CTSSCTSKALOX5HTR2CSLC6A4
SCHEMBL10388706 0.82 KDM5A (0.35) CTSSCTSKHTR2CSLC6A4CA14
SCHEMBL7186502 0.81 ALOX5 (0.41) CTSSCTSKALOX5HTR2CSLC6A4
SCHEMBL1845039 0.80 SSTR4 (0.38) CTSSCTSKALOX5HTR2CSLC6A4

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 11 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
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
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
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US 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
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 CTSS 128/4885CTSK 195/4885ALOX5 1283/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CTSS 1782/4885CTSK 1630/4885ALOX5 272/4885

“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.