SCHEMBL851309

SCHEMBL851309

N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(-c3cc(F)ccc3S(N)(=O)=O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 14/20 0.55
F2 P00734 11/20 0.55
PRSS1 P07477 11/20 0.55
PRSS2 P07478 10/20 0.55
PRSS3 P35030 10/20 0.55
PLG P00747 4/20 0.50
F10 P00742 4/20 0.46
FURIN P09958 1/20 0.46
PLAU P00749 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.41
SOS1 Q07889 1/20 0.40
PLAT P00750 1/20 0.40
KLK1 P06870 1/20 0.40

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
SCHEMBL852133 0.87 ST14 (0.44) ST14F2PRSS1PRSS2PRSS3
SCHEMBL3792937 0.80 CA1 (0.45) SOS1
SCHEMBL851167 0.74 ST14 (0.53) ST14F2PRSS1PRSS2PRSS3
SCHEMBL13270794 0.72 ST14 (0.79) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851310 0.71 ST14 (1.00) ST14F2PRSS1PRSS2PRSS3
SCHEMBL30039108 0.69 PTGS1 (0.47) F10
Hydrochloric Acid SCHEMBL5797803 0.68 PTGS2 (0.54)
Acetic Acid SCHEMBL3128603 0.68 NQO2 (0.66) ST14F2PRSS1PRSS2PRSS3
SCHEMBL17084494 0.67 ST14 (1.00) ST14F2PRSS1PRSS2PRSS3
SCHEMBL483100 0.67 ST14 (1.00) 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.