SCHEMBL850945

SCHEMBL850945

N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)c(Oc3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 4/20 0.68
F10 P00742 3/20 0.56
F2 P00734 2/20 0.56
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
SLC22A12 Q96S37 3/20 0.44
GPR119 Q8TDV5 2/20 0.41
ATIC P31939 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
STAT3 P40763 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
GLO1 Q04760 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39

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
SCHEMBL851158 0.91 ST14 (0.67) ST14F10F2PRSS1PRSS2
SCHEMBL850942 0.84 ST14 (0.68) ST14F10F2PRSS1PRSS2
SCHEMBL850902 0.81 ST14 (0.81) ST14F10F2PRSS1PRSS2
SCHEMBL850834 0.81 ST14 (1.00) ST14F10F2PRSS1PRSS2
SCHEMBL851537 0.76 ST14 (0.72) ST14F10F2PRSS1PRSS2
SCHEMBL852135 0.74 ST14 (0.70) ST14MEN1KMT2ASLC40A1GLO1
SCHEMBL851450 0.73 SLC22A12 (0.54) SLC22A12MEN1KMT2ASTAT3CACNA1H
SCHEMBL851794 0.72 F10 (1.00) ST14F10F2PRSS1PRSS2
SCHEMBL6581002 0.70 F10 (0.66) ST14F10F2PRSS1PRSS2
SCHEMBL3792939 0.69 F2 (0.62) 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.