SCHEMBL851870

SCHEMBL851870

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

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 9/20 0.71
PRSS1 P07477 9/20 0.71
PRSS2 P07478 9/20 0.71
PRSS3 P35030 9/20 0.71
F10 P00742 5/20 0.71
F2 P00734 7/20 0.56
TPSAB1 Q15661 2/20 0.45
PLG P00747 3/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
ITGB3 P05106 6/20 0.42
ITGA2B P08514 6/20 0.42
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40

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
SCHEMBL851872 0.91 PRSS1 (0.57) ST14PRSS1PRSS2PRSS3F10
SCHEMBL860552 0.90 ST14 (0.69) ST14PRSS1PRSS2PRSS3F10
SCHEMBL851566 0.88 ST14 (0.54) ST14PRSS1PRSS2PRSS3F10
SCHEMBL851532 0.86 PRSS1 (0.51) ST14PRSS1PRSS2PRSS3F10
SCHEMBL851913 0.86 PRSS1 (0.63) ST14PRSS1PRSS2PRSS3F10
SCHEMBL852139 0.83 ST14 (1.00) ST14PRSS1PRSS2PRSS3F10
SCHEMBL8510365 0.83 ST14 (0.59) ST14PRSS1PRSS2PRSS3F10
SCHEMBL851545 0.81 PRSS1 (0.47) ST14PRSS1PRSS2PRSS3F10
SCHEMBL851846 0.81 PRSS1 (0.55) ST14PRSS1PRSS2PRSS3F10
SCHEMBL850771 0.79 ST14 (0.86) ST14PRSS1PRSS2PRSS3F10

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 216/4885PRSS1 3/4885PRSS2 23/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885PRSS1 3/4885PRSS2 23/4885

“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.