SCHEMBL851452

SCHEMBL851452

CCOC(=O)N1CCN(C(=O)c2cc(OCc3ccc(CN)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 11/20 0.57
PRSS1 P07477 9/20 0.57
PRSS2 P07478 9/20 0.57
PRSS3 P35030 9/20 0.57
PLG P00747 3/20 0.57
F2 P00734 7/20 0.54
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PARP10 Q53GL7 1/20 0.44
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL851767 0.94 ST14 (0.62) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL861362 0.93 ALDH1A1 (0.49) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL850889 0.93 PRSS1 (0.57) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851553 0.92 ST14 (0.56) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851129 0.88 PRSS1 (0.69) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL852072 0.87 ALDH1A1 (0.55) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL860492 0.84 ALDH1A1 (0.50) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851063 0.84 ALDH1A1 (0.49) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851688 0.83 ALDH1A1 (0.55) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851821 0.80 GAA (0.52) ST14PRSS1PRSS2PRSS3PLG

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.