SCHEMBL852138

SCHEMBL852138

N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3cccc4cccnc34)c(Oc3ccc(C(=N)N)cc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 6/20 1.00
F10 P00742 7/20 0.65
F2 P00734 6/20 0.65
PRSS1 P07477 4/20 0.65
PRSS2 P07478 4/20 0.65
PRSS3 P35030 4/20 0.65
GAA P10253 2/20 0.48
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
MMP2 P08253 1/20 0.45
SLC16A3 O15427 1/20 0.44

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
SCHEMBL851125 0.91 ST14 (0.83) ST14F10F2PRSS1PRSS2
SCHEMBL851853 0.85 ST14 (0.74) ST14F10F2PRSS1PRSS2
SCHEMBL852135 0.83 ST14 (0.70) ST14GAAALDH1A1TP53HTT
SCHEMBL851801 0.79 F10 (1.00) ST14F10F2PRSS1PRSS2
SCHEMBL851794 0.77 F10 (1.00) ST14F10F2PRSS1PRSS2
SCHEMBL850834 0.75 ST14 (1.00) ST14F10F2PRSS1PRSS2
SCHEMBL850835 0.73 ST14 (0.75) ST14F10F2PRSS1PRSS2
SCHEMBL8169549 0.70 MAPK1 (0.54) ST14F2GAAALDH1A1HTT
SCHEMBL6581312 0.70 F10 (1.00) ST14F10F2PRSS1PRSS2
SCHEMBL7395865 0.69 ST14 (0.53) 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 216/4885F10 152/4885F2 112/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F10 152/4885F2 112/4885

“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.