SCHEMBL851168

SCHEMBL851168

N=C(N)c1ccc(Oc2cc(NS(=O)(=O)c3ccc4ccccc4c3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 7/20 1.00
PRSS1 P07477 6/20 1.00
PRSS2 P07478 6/20 1.00
PRSS3 P35030 6/20 1.00
F2 P00734 8/20 0.73
F10 P00742 3/20 0.64
PGR P06401 1/20 0.62
TMPRSS6 Q8IU80 2/20 0.55
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PLAU P00749 1/20 0.51
PLA2G7 Q13093 1/20 0.50
MRGPRX1 Q96LB2 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
FURIN P09958 1/20 0.48

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
SCHEMBL3798064 0.88 PRSS1 (0.78) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3790598 0.87 PRSS1 (0.78) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851310 0.84 ST14 (1.00) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851549 0.83 ST14 (0.71) ST14PRSS1PRSS2PRSS3F2
SCHEMBL6295991 0.81 PRSS1 (0.68) ST14PRSS1PRSS2PRSS3F2
SCHEMBL852159 0.79 PRSS1 (0.65) ST14PRSS1PRSS2PRSS3PGR
SCHEMBL850835 0.78 ST14 (0.75) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851801 0.78 F10 (1.00) ST14PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL7156674 0.77 PRSS1 (0.61) ST14PRSS1PRSS2PRSS3F2
SCHEMBL7156678 0.75 PRSS1 (0.59) 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.