SCHEMBL851757

SCHEMBL851757

N=C(NO)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(Oc3ccc(C(=N)NO)cc3)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 5/20 0.81
F10 P00742 5/20 0.81
PRSS1 P07477 3/20 0.81
PRSS2 P07478 3/20 0.81
PRSS3 P35030 3/20 0.81
F2 P00734 3/20 0.81
PGR P06401 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC16A3 O15427 3/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
GLO1 Q04760 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
PLAU P00749 2/20 0.41

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
SCHEMBL851801 0.90 F10 (1.00) ST14F10PRSS1PRSS2PRSS3
SCHEMBL850902 0.84 ST14 (0.81) ST14F10PRSS1PRSS2PRSS3
SCHEMBL852342 0.84 F10 (0.72) ST14F10PRSS1PRSS2PRSS3
SCHEMBL850942 0.81 ST14 (0.68) ST14F10PRSS1PRSS2PRSS3
SCHEMBL3790598 0.80 PRSS1 (0.78) ST14F10PRSS1PRSS2PRSS3
SCHEMBL851125 0.79 ST14 (0.83) ST14F10PRSS1PRSS2PRSS3
SCHEMBL851794 0.76 F10 (1.00) ST14F10PRSS1PRSS2PRSS3
SCHEMBL850835 0.76 ST14 (0.75) ST14F10PRSS1PRSS2PRSS3
SCHEMBL850834 0.74 ST14 (1.00) ST14F10PRSS1PRSS2PRSS3
SCHEMBL851855 0.72 ST14 (0.73) ST14F10PRSS1PRSS2PRSS3

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 152/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F10 152/4885PRSS1 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.