SCHEMBL861718

SCHEMBL861718

CC(=O)N(O)C(=N)c1ccc(Oc2cc(NC(=O)C3CCN(CCNC(=O)OC(C)(C)C)CC3)cc(Oc3ccc(C(=N)N(O)C(C)=O)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.55
ST14 Q9Y5Y6 7/20 0.55
PRSS1 P07477 6/20 0.55
PRSS2 P07478 6/20 0.55
PRSS3 P35030 6/20 0.55
PLG P00747 3/20 0.55
LTA4H P09960 1/20 0.39
DRD2 P14416 2/20 0.39
S1PR2 O95136 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
NPC1 O15118 1/20 0.35

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) F2ST14PRSS1PRSS2PRSS3
SCHEMBL852367 0.87 F2 (0.58) F2ST14PRSS1PRSS2PRSS3
SCHEMBL851996 0.83 ST14 (0.52) F2ST14PRSS1PRSS2PRSS3
SCHEMBL8509291 0.83 ST14 (0.52) F2ST14PRSS1PRSS2PRSS3
SCHEMBL8511550 0.83 ST14 (0.52) F2ST14PRSS1PRSS2PRSS3
SCHEMBL851991 0.83 F2 (0.58) F2ST14PRSS1PRSS2PRSS3
SCHEMBL852205 0.82 F2 (0.51) F2ST14PRSS1PRSS2PRSS3
SCHEMBL8512887 0.79 ST14 (0.52) F2ST14PRSS1PRSS2PRSS3
SCHEMBL8513660 0.78 F2 (0.72) F2ST14PRSS1PRSS2PRSS3
SCHEMBL851605 0.78 F2 (0.72) F2ST14PRSS1PRSS2PRSS3

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