SCHEMBL851158

SCHEMBL851158

N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.67
F2 P00734 2/20 0.67
F10 P00742 2/20 0.67
PRSS1 P07477 2/20 0.67
PRSS2 P07478 2/20 0.67
PRSS3 P35030 2/20 0.67
SLC22A12 Q96S37 4/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CACNA1H O95180 1/20 0.45
CACNA1B Q00975 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
STAT3 P40763 1/20 0.44
GLO1 Q04760 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
HSD11B1 P28845 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL850945 0.91 ST14 (0.68) ST14F2F10PRSS1PRSS2
SCHEMBL850942 0.86 ST14 (0.68) ST14F2F10PRSS1PRSS2
SCHEMBL851794 0.80 F10 (1.00) ST14F2F10PRSS1PRSS2
SCHEMBL851450 0.79 SLC22A12 (0.54) SLC22A12MEN1KMT2ACACNA1HCACNA1B
SCHEMBL851855 0.76 ST14 (0.73) ST14F2F10PRSS1PRSS2
SCHEMBL852135 0.76 ST14 (0.70) ST14MEN1KMT2AGLO1
SCHEMBL3792939 0.76 F2 (0.62) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851552 0.74 ST14 (0.71) ST14F2F10PRSS1PRSS2
SCHEMBL852030 0.74 F10 (0.48) F10MEN1KMT2A
SCHEMBL7595509 0.73 SLC22A12 (0.56) SLC22A12MEN1KMT2AGLO1HSD11B1

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 112/4885F10 152/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F2 112/4885F10 152/4885

“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.