SCHEMBL852159

SCHEMBL852159

N#Cc1ccc(Oc2cc(NS(=O)(=O)c3ccc4ccccc4c3)cc(Oc3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
ST14 Q9Y5Y6 1/20 0.65
PGR P06401 3/20 0.64
AR P10275 1/20 0.51
ATM Q13315 1/20 0.50
PLA2G7 Q13093 2/20 0.49
CACNA1H O95180 1/20 0.49
CACNA1B Q00975 1/20 0.49
KAT6A Q92794 1/20 0.49
BRD1 O95696 1/20 0.48
BRPF1 P55201 1/20 0.48
BRPF3 Q9ULD4 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
PKLR P30613 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 3/20 0.47

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
SCHEMBL12230253 0.86 ATM (0.67) PGRARATMKAT6ABRD1
SCHEMBL3792939 0.84 F2 (0.62) PRSS1PRSS2PRSS3ST14PGR
SCHEMBL28316252 0.83 LMNA (0.69) PGRARATMPLA2G7BRD1
SCHEMBL851124 0.82 PGR (0.54) PRSS1PRSS2PRSS3ST14PGR
SCHEMBL3789807 0.80 PGR (0.44) PRSS1PRSS2PRSS3ST14PGR
SCHEMBL851168 0.79 ST14 (1.00) PRSS1PRSS2PRSS3ST14PGR
SCHEMBL3790598 0.78 PRSS1 (0.78) PRSS1PRSS2PRSS3ST14PGR
SCHEMBL14677816 0.78 PGR (0.71) PGRARCACNA1BKAT6AMEN1
SCHEMBL850942 0.78 ST14 (0.68) PRSS1PRSS2PRSS3ST14PGR
SCHEMBL8508906 0.74 PRSS1 (0.65) PRSS1PRSS2PRSS3ST14PGR

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 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885

“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.