SCHEMBL2247688

SCHEMBL2247688

CCCCc1ccc(C(=O)CNc2cc(-c3ccccc3)sc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPRF P10586 2/20 0.46
▸ PTPN1 P18031 2/20 0.46
▸ RARB P10826 2/20 0.45
▸ IGF2BP2 Q9Y6M1 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ HAO1 Q9UJM8 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ IKBKB O14920 1/20 0.42
▸ PTPRA P18433 1/20 0.42
▸ PLK1 P53350 3/20 0.41
▸ PLK3 Q9H4B4 3/20 0.41

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
SCHEMBL2158083 0.85 PTPN1 (0.58) PTPRFPTPN1MEN1POLBMAPT
SCHEMBL2252377 0.82 PTPN1 (0.55) PTPRFPTPN1MEN1POLBMAPT
SCHEMBL2246923 0.81 KDM4E (0.49) PTPRFPTPN1MEN1POLBMAPT
SCHEMBL2251143 0.78 PTPN1 (0.50) PTPRFPTPN1IGF2BP2MEN1POLB
SCHEMBL2254388 0.78 PTPN1 (0.52) PTPRFPTPN1MEN1POLBMAPT
SCHEMBL2249694 0.77 PTPN1 (0.54) PTPRFPTPN1MEN1POLBMAPT
SCHEMBL2249016 0.77 PTPN1 (0.47) PTPRFPTPN1MEN1POLBMAPT
SCHEMBL3807328 0.77 PTPN1 (0.54) PTPRFPTPN1MEN1POLBMAPT
SCHEMBL2158421 0.76 HPGD (0.67) MEN1POLBMAPTKMT2A
SCHEMBL2157518 0.76 NPSR1 (0.60) TRPV1IKBKB

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 17 patents. 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
CN-100509797-C Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2009-07-08 — — CN 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-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
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 — — EP 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
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 (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 PTPRF 364/4885PTPN1 1592/4885RARB 1559/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS PTPRF 364/4885PTPN1 1592/4885RARB 1559/4885

“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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