SCHEMBL2158397

SCHEMBL2158397

O=C(O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
PKM P14618 1/20 0.53
SLC10A6 Q3KNW5 1/20 0.53
KDM4E B2RXH2 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
PTPN1 P18031 1/20 0.51
IKBKB O14920 1/20 0.51
ACLY P53396 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL2158210 0.88 NPSR1 (0.58) NPSR1KDM4ERXFP1PTPN1IKBKB
SCHEMBL2157744 0.87 SLC40A1 (0.55) NPSR1SLC10A6KDM4ERXFP1PTPN1
SCHEMBL3811277 0.84 PKM (0.53) NPSR1PKMSLC10A6KDM4ERXFP1
SCHEMBL2157991 0.83 IKBKB (0.58) NPSR1KDM4ERXFP1PTPN1IKBKB
SCHEMBL2157667 0.83 NPSR1 (0.63) NPSR1KDM4ERXFP1CA2PTPN1
SCHEMBL2158693 0.82 PTPN1 (0.60) NPSR1KDM4ERXFP1PTPN1IKBKB
SCHEMBL2157723 0.82 NPSR1 (0.50) NPSR1KDM4ERXFP1PTPN1ACLY
SCHEMBL2158094 0.81 ACLY (0.60) NPSR1KDM4ERXFP1PTPN1IKBKB
SCHEMBL6426603 0.81 NPSR1 (0.60) NPSR1KDM4ERXFP1PTPN1ACLY
SCHEMBL2158558 0.81 NPSR1 (0.57) NPSR1KDM4ERXFP1PTPN1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 US claimed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 EP claimed
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 US claimed
CN-1602308-A Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2005-03-30 CN claimed
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 US disclosed
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 US disclosed
US-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 US disclosed
US-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 US disclosed
EP-2363396-A1 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2011-09-07 EP disclosed
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 US disclosed
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 US disclosed
CN-101624391-A Thiophene derivatives as antiviral agents for flavivirus infection VIROCHEM PHARMA INC 2010-01-13 CN disclosed
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP disclosed
CN-100509797-C Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2009-07-08 CN disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 US disclosed
CN-1602308-A Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2005-03-30 CN disclosed
EP-1401825-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION Shire Biochem Inc. (CA) 2004-03-31 EP disclosed
WO-2002100851-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION SHIRE BIOCHEM INC. (CA) 2002-12-19 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-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS NPSR1 2975/4885PKM 2622/4885SLC10A6 1346/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS NPSR1 2975/4885PKM 2622/4885SLC10A6 1346/4885
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS NPSR1 2975/4885PKM 2622/4885SLC10A6 1346/4885

“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.