SCHEMBL851672

SCHEMBL851672

N=C(N)c1ccc(COc2cc(OCc3ccc(C(=N)N)cc3)cc(C(=O)N3CCC(CCN)CC3)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.76
PRSS2 P07478 10/20 0.76
PRSS3 P35030 10/20 0.76
ST14 Q9Y5Y6 9/20 0.76
F2 P00734 9/20 0.76
F10 P00742 2/20 0.66
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
PLG P00747 2/20 0.48
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
TMPRSS6 Q8IU80 1/20 0.46

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
SCHEMBL851139 0.95 ST14 (0.85) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851461 0.89 ST14 (0.66) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851319 0.87 PRSS1 (0.58) PRSS1PRSS2PRSS3ST14F2
SCHEMBL850868 0.87 ST14 (0.78) PRSS1PRSS2PRSS3ST14F2
SCHEMBL8514513 0.86 PRSS1 (0.57) PRSS1PRSS2PRSS3ST14F2
SCHEMBL852132 0.86 PRSS1 (0.62) PRSS1PRSS2PRSS3ST14F2
SCHEMBL861314 0.86 ST14 (1.00) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851670 0.86 ST14 (0.90) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851639 0.84 ST14 (0.86) PRSS1PRSS2PRSS3ST14F2
SCHEMBL852003 0.83 PRSS1 (0.66) PRSS1PRSS2PRSS3ST14F2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102427853-B Protease Inhibitors ORION CORP 2014-11-05 CN disclosed
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.