SCHEMBL851687

SCHEMBL851687

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
F2 P00734 1/20 0.46
CHRM4 P08173 2/20 0.44
MGLL Q99685 3/20 0.42
HDAC1 Q13547 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NAMPT P43490 2/20 0.39
CNR2 P34972 1/20 0.39
NPC1L1 Q9UHC9 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
F10 P00742 1/20 0.39
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL851247 0.90 F2 (0.46) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851913 0.89 PRSS1 (0.63) PRSS1PRSS2PRSS3ST14F2
SCHEMBL861713 0.89 PRSS1 (0.43) PRSS1PRSS2PRSS3ST14F2
SCHEMBL852002 0.89 F2 (0.46) PRSS1PRSS2PRSS3ST14F2
SCHEMBL850638 0.88 PRSS1 (0.51) PRSS1PRSS2PRSS3ST14F2
SCHEMBL8512436 0.85 PRSS1 (0.45) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851443 0.85 PRSS1 (0.48) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851618 0.84 ALDH1A1 (0.47) PRSS1PRSS2PRSS3ST14ALDH1A1
SCHEMBL851914 0.84 PRSS1 (0.50) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851681 0.83 PRKAA2 (0.45) 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 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 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.