SCHEMBL1645913

SCHEMBL1645913

NS(=O)(=O)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 1.00
CA2 P00918 13/20 1.00
CA12 O43570 2/20 0.61
CA9 Q16790 2/20 0.61
CES1 P23141 1/20 0.59
KIF11 P52732 2/20 0.55
PRMT1 Q99873 1/20 0.50

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
SCHEMBL14726347 0.87 CA1 (0.75) CA1CA2CA12CA9
SCHEMBL11707345 0.80 CA1 (0.67) CA1CA2CA12CA9CES1
SCHEMBL5684413 0.78 CA1 (0.64) CA1CA2CA12CA9KIF11
SCHEMBL3365092 0.78 CA1 (0.64) CA1CA2CA12CA9CES1
SCHEMBL6352180 0.78 CA1 (0.64) CA1CA2CA12CA9KIF11
SCHEMBL8519790 0.76 CA1 (1.00) CA1CA2CA12CA9KIF11
SCHEMBL1122831 0.76 CA1 (0.61) CA1CA2CA12CA9KIF11
SCHEMBL479173 0.76 KIF11 (0.88) CA1CA2CA12CA9CES1
SCHEMBL15549491 0.76 CA1 (0.61) CA1CA2CA12CA9CES1
SCHEMBL3088460 0.76 CA1 (0.61) CA1CA2CA12CA9CES1

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 40 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
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-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
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
WO-1997037646-A1 CATECHOLAMINE SURROGATES USEFUL AS β3 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-16 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 (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 4474/4885CA12 4215/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CA1 4665/4885CA2 4474/4885CA12 4215/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 CA1 4845/4885CA2 4605/4885CA12 4519/4885

“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.