SCHEMBL1645328

SCHEMBL1645328

COc1ccc(NS(N)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 1.00
CA2 P00918 14/20 1.00
GAA P10253 2/20 0.56
MAPK1 P28482 2/20 0.56
LMNA P02545 1/20 0.56
CA9 Q16790 4/20 0.55
CA12 O43570 3/20 0.55
ACHE P22303 1/20 0.53
ALDH1A1 P00352 2/20 0.53
CA5A P35218 2/20 0.53
CA4 P22748 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
Benzene SCHEMBL28030893 0.96 CA1 (0.92) CA1CA2GAAMAPK1LMNA
SCHEMBL11708669 0.83 CA1 (0.70) CA1CA2GAAMAPK1LMNA
SCHEMBL171658 0.81 LMNA (0.79) CA1CA2GAAMAPK1LMNA
SCHEMBL9215868 0.79 CA1 (0.66) CA1CA2GAAMAPK1LMNA
SCHEMBL11350891 0.79 CA1 (0.66) CA1CA2GAAMAPK1LMNA
SCHEMBL15386992 0.79 CA1 (0.66) CA1CA2CA9CA12
SCHEMBL3368531 0.79 CA1 (0.66) CA1CA2GAAMAPK1LMNA
SCHEMBL29380088 0.79 CA1 (0.66) CA1CA2GAAMAPK1LMNA
SCHEMBL21033853 0.79 CA1 (0.66) CA1CA2GAAMAPK1LMNA
SCHEMBL3244226 0.79 CA1 (0.65) CA1CA2GAAMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111100092-A Method for direct amination of thioamide-oriented aromatic hydrocarbon carbon-hydrogen 宁夏大学 2020-05-05 CN claimed
CN-113087687-A Method for direct carbon-hydrogen alkynylation of thioamide-oriented aromatic hydrocarbon 宁夏大学 2021-07-09 CN disclosed
CN-111100092-A Method for direct amination of thioamide-oriented aromatic hydrocarbon carbon-hydrogen 宁夏大学 2020-05-05 CN 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
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305697-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
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 US 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
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 WO disclosed
EP-1749007-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION Intermune, Inc. (US) 2007-02-07 EP disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
US-5429918-A Antifading agent FUJI PHOTO FILM CO., LTD. (JP) 1995-07-04 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 (3 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 CA1 4665/4885CA2 4474/4885GAA 589/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CA1 4665/4885CA2 4474/4885GAA 589/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 CA1 4845/4885CA2 4605/4885GAA 646/4885

“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.