SCHEMBL1645161

SCHEMBL1645161

NS(=O)(=O)Nc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
PTGES2 Q9H7Z7 6/20 0.49
KIF11 P52732 1/20 0.46
PTK2B Q14289 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 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
SCHEMBL11417940 0.82 TSHR (0.56) TSHRMEN1KMT2APTGES2PTK2B
SCHEMBL3375937 0.78 TSHR (0.53) TSHRMEN1KMT2APTK2BKDM4E
SCHEMBL2318350 0.78 PTGS1 (0.61) TSHRMEN1KMT2APTK2BKDM4E
SCHEMBL27182739 0.77 KMT2A (0.56) TSHRMEN1KMT2APTK2BKDM4E
SCHEMBL2418062 0.76 SLC22A12 (0.56) CA1CA2PTGES2KIF11KDM4E
SCHEMBL19439099 0.76 CA2 (0.52) MEN1KMT2ACA1CA2KIF11
SCHEMBL20138483 0.76 CA2 (0.58) CA1CA2CA12CA9L3MBTL1
SCHEMBL8519788 0.76 GAA (0.55) MEN1KMT2ACA1CA2PTGES2
SCHEMBL9647876 0.75 KIF11 (0.55) TSHRMEN1KMT2ACA1CA2
SCHEMBL11788518 0.75 MCL1 (0.62) TSHRMEN1KMT2ACA1CA2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087687-A Method for direct carbon-hydrogen alkynylation of thioamide-oriented aromatic hydrocarbon 宁夏大学 2021-07-09 CN claimed
CN-102816170-A Novel macrocyclic inhibitors of hepatitis C virus replication INTERMUNE INC 2012-12-12 CN disclosed
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 US disclosed
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 US disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
CN-101263156-A Novel macrocyclic inhibitors of hepatitis C virus replication INTERMUNE INC (US) 2008-09-10 CN disclosed
EP-1924594-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2008-05-28 EP disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 WO disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 WO disclosed
EP-0121495-A1 Monoazo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1984-10-10 EP 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-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS TSHR 4594/4885MEN1 4454/4885KMT2A 3154/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS TSHR 4594/4885MEN1 4454/4885KMT2A 3154/4885

“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.