SCHEMBL8512436

SCHEMBL8512436

CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc(O)cc(Oc3ccc(C(N)C(=O)OC(C)(C)C)cc3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.45
PRSS2 P07478 5/20 0.45
PRSS3 P35030 5/20 0.45
ST14 Q9Y5Y6 4/20 0.45
F2 P00734 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
F10 P00742 1/20 0.38
CHRM4 P08173 4/20 0.38
MGLL Q99685 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PLG P00747 2/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL851246 0.91 PRSS1 (0.45) PRSS1PRSS2PRSS3ST14F2
SCHEMBL8510365 0.91 ST14 (0.59) PRSS1PRSS2PRSS3ST14F2
SCHEMBL850637 0.89 PRSS1 (0.49) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851687 0.85 PRSS1 (0.46) PRSS1PRSS2PRSS3ST14F2
SCHEMBL861712 0.85 PRSS1 (0.45) PRSS1PRSS2PRSS3ST14F2
SCHEMBL852002 0.85 F2 (0.46) PRSS1PRSS2PRSS3ST14F2
SCHEMBL860552 0.81 ST14 (0.69) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851617 0.81 ALDH1A1 (0.48) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851914 0.80 PRSS1 (0.50) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851846 0.79 PRSS1 (0.55) PRSS1PRSS2PRSS3ST14F2

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 3 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

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 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885

“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.