SCHEMBL851940

SCHEMBL851940

CC(C)(C)OC(=O)NCCC(=O)N1CCC(NC(=O)c2ccc(Oc3ccc(C(=N)NO)cc3)nc2Oc2ccc(C(=N)NO)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 6/20 0.64
F10 P00742 6/20 0.64
F2 P00734 4/20 0.64
PRSS1 P07477 4/20 0.50
PRSS2 P07478 4/20 0.50
PRSS3 P35030 4/20 0.50
SIGMAR1 Q99720 1/20 0.38
PLG P00747 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
PRKAA2 P54646 1/20 0.35
HDAC4 P56524 1/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
HPGDS O60760 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
HSD11B1 P28845 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
SCHEMBL851123 0.92 ST14 (0.76) ST14F10F2PRSS1PRSS2
SCHEMBL860155 0.89 ST14 (0.60) ST14F10F2PRSS1PRSS2
SCHEMBL852322 0.87 F10 (0.56) ST14F10F2PRSS1PRSS2
SCHEMBL850854 0.78 ST14 (1.00) ST14F10F2PRSS1PRSS2
SCHEMBL851437 0.76 ST14 (0.61) ST14F10F2PRSS1PRSS2
SCHEMBL851302 0.75 F2 (0.45) ST14F10F2PRSS1PRSS2
SCHEMBL850860 0.75 SIGMAR1 (0.43) ST14F10F2PRSS1PRSS2
SCHEMBL851872 0.74 PRSS1 (0.57) ST14F10F2PRSS1PRSS2
SCHEMBL851645 0.73 F2 (0.52) ST14F10F2PRSS1PRSS2
SCHEMBL851858 0.72 ST14 (0.58) ST14F10F2PRSS1PRSS2

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 216/4885F10 152/4885F2 112/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F10 152/4885F2 112/4885

“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.