SCHEMBL850443

SCHEMBL850443

CC(=O)N(O)C(=N)c1ccc(Oc2cc(Oc3ccc(C(=N)N(O)C(C)=O)cc3)cc(C(=O)N3CCC4CCCCC4C3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.71
PRSS2 P07478 3/20 0.71
PRSS3 P35030 3/20 0.71
F2 P00734 2/20 0.71
ST14 Q9Y5Y6 2/20 0.71
PLG P00747 1/20 0.71
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR2 P34972 15/20 0.44
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 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
SCHEMBL851311 0.82 PRSS1 (0.77) PRSS1PRSS2PRSS3F2ST14
SCHEMBL850977 0.78 PRSS1 (0.71) PRSS1PRSS2PRSS3F2ST14
SCHEMBL851919 0.77 ALDH1A1 (0.56) PRSS1PRSS2PRSS3F2ST14
SCHEMBL860143 0.75 F2 (0.71) PRSS1PRSS2PRSS3F2ST14
SCHEMBL851626 0.75 ST14 (0.40) PRSS1PRSS2PRSS3F2ST14
SCHEMBL851286 0.75 PRSS1 (0.53) PRSS1PRSS2PRSS3F2ST14
SCHEMBL851241 0.74 ST14 (0.69) PRSS1PRSS2PRSS3F2ST14
SCHEMBL860509 0.74 PRSS1 (0.52) PRSS1PRSS2PRSS3F2ST14
SCHEMBL852038 0.72 F2 (0.70) PRSS1PRSS2PRSS3F2ST14
SCHEMBL851375 0.72 PRSS1 (0.60) PRSS1PRSS2PRSS3F2ST14

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 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885

“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.