SCHEMBL851310

SCHEMBL851310

N=C(N)c1ccc(Oc2cc(NS(=O)(=O)c3ccc(F)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 12/20 1.00
F2 P00734 8/20 1.00
PRSS1 P07477 7/20 1.00
PRSS2 P07478 7/20 1.00
PRSS3 P35030 7/20 1.00
MRGPRX1 Q96LB2 2/20 0.64
F10 P00742 3/20 0.62
PLG P00747 1/20 0.61
FFAR4 Q5NUL3 2/20 0.56
FFAR1 O14842 1/20 0.56
TMPRSS6 Q8IU80 2/20 0.56
FURIN P09958 1/20 0.48
PLAU P00749 1/20 0.47

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
SCHEMBL3792439 0.88 ST14 (0.77) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852134 0.86 ST14 (0.76) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851168 0.84 ST14 (1.00) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851435 0.83 MRGPRX1 (0.82) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8508906 0.79 PRSS1 (0.65) ST14F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7151221 0.78 ST14 (0.62) ST14F2PRSS1PRSS2PRSS3
SCHEMBL13270794 0.78 ST14 (0.79) ST14F2PRSS1PRSS2PRSS3
SCHEMBL3792939 0.77 F2 (0.62) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851794 0.77 F10 (1.00) ST14F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7158302 0.75 F2 (0.59) ST14F2PRSS1PRSS2PRSS3

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 216/4885F2 112/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F2 112/4885PRSS1 3/4885

“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.