SCHEMBL1128972

SCHEMBL1128972

NS(=O)(=O)c1ccccc1COc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.51
CA1 P00915 8/20 0.51
CA9 Q16790 8/20 0.51
CA12 O43570 7/20 0.51
CA7 P43166 4/20 0.51
CA4 P22748 3/20 0.51
CA5A P35218 2/20 0.51
CA5B Q9Y2D0 2/20 0.51
PTGES2 Q9H7Z7 1/20 0.49
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
PARP10 Q53GL7 1/20 0.43
CA6 P23280 2/20 0.42
CYP2C9 P11712 1/20 0.42
CA14 Q9ULX7 1/20 0.42
AR P10275 1/20 0.42
SOS1 Q07889 1/20 0.42
F2 P00734 1/20 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
SCHEMBL30296408 0.87 CA2 (0.46) CA2CA1CA9CA12CA7
SCHEMBL411103 0.83 CA2 (0.54) CA2CA1CA9CA12CA7
SCHEMBL1880967 0.81 CA1 (0.49) CA2CA1CA9CA12CA7
SCHEMBL1876554 0.80 KCNA3 (0.50) CA2CA1CA9CA12CA7
SCHEMBL19280573 0.79 IDO1 (0.53) CA2CA1CA9CA12CA7
SCHEMBL574790 0.78 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL31726638 0.78 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL931875 0.76 PTPRC (0.59) KDM4ESMN1; SMN2PTPRCPTPN1F2
SCHEMBL7999742 0.75 CA2 (0.42) CA2CA1CA9CA12CA7
SCHEMBL8349565 0.74 CA2 (0.54) CA2CA1CA9CA12CA7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
CN-102046622-A Novel macrocyclic inhibitors of hepatitis C virus replication INTERMUNE INC 2011-05-04 CN disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
EP-2282762-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US 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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CA2 4581/4885CA1 4730/4885CA9 4082/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CA2 4581/4885CA1 4730/4885CA9 4082/4885

“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.