SCHEMBL2157723

SCHEMBL2157723

Cc1ccccc1S(=O)(=O)Nc1cc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ PTPN1 P18031 1/20 0.49
▸ ACLY P53396 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL2158693 0.92 PTPN1 (0.60) NPSR1KDM4ERXFP1PTPN1MEN1
SCHEMBL4569820 0.92 NPSR1 (0.58) NPSR1KDM4ERXFP1MEN1KMT2A
SCHEMBL2158090 0.89 MEN1 (0.50) NPSR1KDM4ERXFP1PTPN1ACLY
SCHEMBL6426603 0.88 NPSR1 (0.60) NPSR1KDM4ERXFP1PTPN1ACLY
SCHEMBL2158232 0.87 NPSR1 (0.61) NPSR1KDM4ERXFP1ACLY
SCHEMBL2157697 0.86 NPSR1 (0.55) NPSR1KDM4ERXFP1ACLY
SCHEMBL2157751 0.86 NPSR1 (0.53) NPSR1KDM4ERXFP1ACLY
SCHEMBL2157725 0.86 NPSR1 (0.56) NPSR1KDM4ERXFP1PTPN1ACLY
SCHEMBL3814765 0.86 MEN1 (0.44) NPSR1KDM4ERXFP1MEN1KMT2A
SCHEMBL2158516 0.86 NPSR1 (0.52) NPSR1KDM4ERXFP1ACLY

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 26 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
EP-1401825-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION Shire Biochem Inc. (CA) 2004-03-31 — — EP claimed
WO-2002100851-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION SHIRE BIOCHEM INC. (CA) 2002-12-19 — — WO 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-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-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 — — EP disclosed
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP disclosed
WO-2003090531-A1 USE OF DEFINED ALCOHOL ALKOXYLATES AS ADJUVANTS IN THE AGROTECHNICAL FIELD BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 — — WO disclosed
WO-2003043420-A1 USE OF DEFINED COPOLYMERS AS ADJUVANTS AND AGENTS IN THE AGROTECHNICAL DOMAIN BASF AKTIENGESELLSCHAFT (DE) 2003-05-30 — — WO disclosed
WO-2001030154-A2 AGROCHEMICAL COMPOSITIONS CONTAINING PYRAZOLES AND USE THEREOF AS FUNGICIDAL PLANT PROTECTION AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-05-03 — — WO disclosed
EP-1077953-A2 BISOXIMETHER DERIVATIVES, METHODS AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF, AND THEIR USE FOR COMBATING FUNGICIDAL PESTS AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 — — EP disclosed
WO-1999059982-A2 BISOXIMETHER DERIVATIVES, INTERMEDIATE PRODUCTS, AND THEIR USE FOR COMBATING FUNGICIDAL PESTS AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 — — WO disclosed
EP-0873307-A1 CYANIMINO OXIME ETHERS, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF FOR THE CONTROL OF NOXIOUS FUNGI AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 — — EP disclosed
WO-1997024319-A1 CYANIMINO OXIME ETHERS, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF FOR THE CONTROL OF NOXIOUS FUNGI AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-07-10 — — 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 (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-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS NPSR1 2975/4885KDM4E 3220/4885RXFP1 4410/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS NPSR1 2975/4885KDM4E 3220/4885RXFP1 4410/4885

“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.

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