SCHEMBL852075

SCHEMBL852075

CC(C)(C)OC(=O)NCCC(=O)N1CCC(C(=O)Nc2cc(Oc3ccc(C(=N)N)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 13/20 0.72
PRSS1 P07477 12/20 0.72
PRSS2 P07478 12/20 0.72
PRSS3 P35030 12/20 0.72
F2 P00734 12/20 0.72
PLG P00747 7/20 0.72
ITGB3 P05106 3/20 0.49
ITGA2B P08514 3/20 0.49
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
S1PR2 O95136 1/20 0.42
F10 P00742 1/20 0.41

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
SCHEMBL8508883 0.88 ST14 (0.71) ST14PRSS1PRSS2PRSS3F2
SCHEMBL8509553 0.86 F2 (0.52) ST14PRSS1PRSS2PRSS3F2
SCHEMBL852693 0.84 ST14 (1.00) ST14PRSS1PRSS2PRSS3F2
SCHEMBL8513194 0.80 ST14 (0.70) ST14PRSS1PRSS2PRSS3F2
SCHEMBL852264 0.80 ST14 (0.70) ST14PRSS1PRSS2PRSS3F2
SCHEMBL8510544 0.80 ST14 (0.70) ST14PRSS1PRSS2PRSS3F2
SCHEMBL852367 0.79 F2 (0.58) ST14PRSS1PRSS2PRSS3F2
SCHEMBL860552 0.78 ST14 (0.69) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851650 0.78 ST14 (0.66) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851651 0.78 ST14 (0.66) ST14PRSS1PRSS2PRSS3F2

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.