SCHEMBL3789807

SCHEMBL3789807

N#Cc1ccc(Oc2cc(NN(c3cc(Oc4ccc(C#N)cc4)cc(Oc4ccc(C#N)cc4)c3)S(=O)(=O)c3ccc4ccccc4c3)cc(Oc3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.44
NR3C1 P04150 3/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KAT6A Q92794 1/20 0.40
POLB P06746 2/20 0.39
CACNA1H O95180 2/20 0.38
CACNA1B Q00975 2/20 0.38
SCN9A Q15858 2/20 0.37
AR P10275 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL852159 0.80 PRSS1 (0.65) PGRPRSS1PRSS2PRSS3ST14
SCHEMBL921076 0.69 CYP19A1 (0.50) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL8520162 0.69 L3MBTL1 (0.54) MEN1KMT2ARAB9ANPC1KAT6A
SCHEMBL851124 0.68 PGR (0.54) PGRPRSS1PRSS2PRSS3ST14
SCHEMBL28316252 0.68 LMNA (0.69) PGRMEN1KMT2ARAB9ANPC1
SCHEMBL12230253 0.68 ATM (0.67) PGRMEN1KMT2ARAB9ANPC1
SCHEMBL3792939 0.66 F2 (0.62) PGRPRSS1PRSS2PRSS3ST14
SCHEMBL29582194 0.65 PARP15 (0.57) PGRST14MEN1KMT2ARAB9A
SCHEMBL29032533 0.64 CA1 (0.53) PGRNR3C1MEN1KMT2ARAB9A
SCHEMBL8551347 0.63 SLC6A4 (0.45) PGRNR3C1MEN1KMT2ARAB9A

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 3 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-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US 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 PGR 354/4885NR3C1 4234/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PGR 354/4885NR3C1 4234/4885PRSS1 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.