SCHEMBL851607

SCHEMBL851607

N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCC(CCCC(=O)O)CC3)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 16/20 0.77
PRSS1 P07477 15/20 0.77
PRSS2 P07478 15/20 0.77
PRSS3 P35030 15/20 0.77
F2 P00734 13/20 0.77
F10 P00742 2/20 0.64
PLG P00747 6/20 0.59
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HTT P42858 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL3794827 0.88 ST14 (0.71) ST14PRSS1PRSS2PRSS3F2
SCHEMBL861314 0.87 ST14 (1.00) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851639 0.83 ST14 (0.86) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851670 0.83 ST14 (0.90) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851218 0.82 PRSS1 (1.00) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851139 0.81 ST14 (0.85) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851375 0.80 PRSS1 (0.60) ST14PRSS1PRSS2PRSS3F2
SCHEMBL860552 0.79 ST14 (0.69) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851736 0.79 PRSS1 (0.78) ST14PRSS1PRSS2PRSS3F2
SCHEMBL852139 0.78 ST14 (1.00) 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.