SCHEMBL851313

SCHEMBL851313

CC(C)(C)OC(=O)NCc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)N3CCCC4CCCCC43)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PRKAA2 P54646 2/20 0.38
PPARA Q07869 1/20 0.38
EPHX2 P34913 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
SLC6A4 P31645 1/20 0.38
CASR P41180 1/20 0.37
DRD2 P14416 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
ROCK2 O75116 1/20 0.37
MMP13 P45452 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36

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
SCHEMBL851262 0.90 HSD11B1 (0.45) HSD11B1POLBTDP1CNR2JAK2
SCHEMBL8509247 0.87 HSD11B1 (0.43) HSD11B1POLBTDP1CNR2HRH3
SCHEMBL851599 0.84 POLB (0.49) HSD11B1POLBTDP1CNR2F2
SCHEMBL8511791 0.82 PRKAA2 (0.38) JAK2JAK1PRKAA2PPARAEPHX2
SCHEMBL851247 0.82 F2 (0.46) PRKAA2HRH3SLC6A4DRD2GPR119
SCHEMBL852153 0.80 POLB (0.46) HSD11B1POLBTDP1CNR2F2
SCHEMBL852057 0.80 PPARA (0.49) POLBPPARAEPHX2HDAC1
SCHEMBL850954 0.80 ALDH1A1 (0.47) PRKAA2HRH3SLC6A4GPR119PLG
SCHEMBL24732696 0.80 EPHX2 (0.52) POLBPPARAEPHX2HDAC1
SCHEMBL851365 0.78 ST14 (0.50) PRKAA2PPARAEPHX2DRD2F2

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
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 HSD11B1 1186/4885POLB 1970/4885TDP1 715/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 HSD11B1 1186/4885POLB 1970/4885TDP1 715/4885

“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.