SCHEMBL860152

SCHEMBL860152

N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCc4ccccc4C3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 1.00
PRSS2 P07478 5/20 1.00
PRSS3 P35030 5/20 1.00
F2 P00734 5/20 1.00
ST14 Q9Y5Y6 5/20 1.00
PLG P00747 2/20 1.00
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
HPGD P15428 5/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
CYP2D6 P10635 2/20 0.49
TMPRSS2 O15393 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49

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
SCHEMBL860143 0.83 F2 (0.71) PRSS1PRSS2PRSS3F2ST14
SCHEMBL861446 0.78 TSHR (0.65) PRSS1PRSS2PRSS3F2ST14
SCHEMBL852113 0.76 ST14 (0.69) PRSS1PRSS2PRSS3F2ST14
SCHEMBL851218 0.74 PRSS1 (1.00) PRSS1PRSS2PRSS3F2ST14
SCHEMBL30260147 0.74 HPGD (0.69) CA1CA2CA7CA9CA14
SCHEMBL13302265 0.74 HPGD (0.69) CA1CA2CA7CA9CA14
SCHEMBL851129 0.74 PRSS1 (0.69) PRSS1PRSS2PRSS3F2ST14
SCHEMBL851789 0.74 ST14 (0.69) PRSS1PRSS2PRSS3F2ST14
SCHEMBL860519 0.72 F2 (0.57) PRSS1PRSS2PRSS3F2ST14
SCHEMBL4739367 0.72 CA1 (0.62) 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.