SCHEMBL851218

SCHEMBL851218

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 1.00
PRSS2 P07478 13/20 1.00
PRSS3 P35030 13/20 1.00
ST14 Q9Y5Y6 14/20 0.71
F2 P00734 11/20 0.71
PLG P00747 6/20 0.67
HTT P42858 1/20 0.59
F10 P00742 1/20 0.58
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
GAA P10253 1/20 0.56
MGLL Q99685 1/20 0.52
MAPT P10636 1/20 0.50

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
SCHEMBL851359 0.86 PRSS1 (0.76) PRSS1PRSS2PRSS3ST14F2
SCHEMBL861314 0.83 ST14 (1.00) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851282 0.82 PRSS1 (0.69) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851607 0.82 ST14 (0.77) PRSS1PRSS2PRSS3ST14F2
Hydrochloric Acid SCHEMBL8718465 0.80 ITGB3 (0.68) PRSS1PRSS2PRSS3HTTITGB3
SCHEMBL851670 0.79 ST14 (0.90) PRSS1PRSS2PRSS3ST14F2
SCHEMBL852113 0.78 ST14 (0.69) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851129 0.78 PRSS1 (0.69) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851789 0.78 ST14 (0.69) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851639 0.77 ST14 (0.86) 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 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.