SCHEMBL852033

SCHEMBL852033

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(OCc3cccc(C(N)C(=O)OC(C)(C)C)c3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 15/20 0.49
F2 P00734 12/20 0.49
PRSS1 P07477 11/20 0.49
PRSS2 P07478 11/20 0.49
PRSS3 P35030 11/20 0.49
PLG P00747 3/20 0.39
DRD2 P14416 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
NPC1 O15118 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 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
SCHEMBL3786263 0.93 ST14 (0.48) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851255 0.92 ST14 (0.51) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851813 0.89 ST14 (0.53) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852041 0.89 ST14 (0.54) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8509922 0.88 ST14 (0.53) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851900 0.86 ST14 (0.51) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851598 0.86 ST14 (0.57) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851656 0.86 ST14 (0.51) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851560 0.84 MRGPRX4 (0.43)
SCHEMBL8509724 0.84 ST14 (0.49) ST14F2PRSS1PRSS2PRSS3

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 ST14 216/4885F2 112/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F2 112/4885PRSS1 3/4885

“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.