SCHEMBL2250658

SCHEMBL2250658

CCC(=O)N(Cc1ccc(C(C)(C)C)cc1)c1cc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.42
KDM4E B2RXH2 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACKR3 P25106 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2244801 0.92 PTGES (0.45) PTGESALOX5LTB4R2KDM4ENR1H4
SCHEMBL3807189 0.91 PTGDR2 (0.50) LTB4R2PTGDR2MEN1KMT2A
SCHEMBL3812595 0.90 PTGDR2 (0.47) LTB4R2KDM4EPTGDR2RAB9AMEN1
SCHEMBL2245988 0.88 LTB4R2 (0.44) LTB4R2KDM4EPTGDR2RAB9AMEN1
SCHEMBL2252385 0.87 LTB4R2 (0.43) LTB4R2KDM4EPTGDR2RAB9AMEN1
SCHEMBL2157547 0.87 PTGES (0.44) PTGESALOX5KDM4ENR1H4MAPK1
SCHEMBL2250638 0.86 NR1H4 (0.46) PTGESALOX5LTB4R2KDM4ENR1H4
SCHEMBL3807347 0.85 PTGES (0.43) PTGESALOX5LTB4R2KDM4ENR1H4
SCHEMBL2158025 0.85 PTGES (0.42) PTGESALOX5LTB4R2KDM4ENR1H4
SCHEMBL14048966 0.85 PTGDR2 (0.43) LTB4R2KDM4EPTGDR2RAB9AMEN1

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
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-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
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
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

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 PTGES 1887/4885ALOX5 2155/4885LTB4R2 3225/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS PTGES 1887/4885ALOX5 2155/4885LTB4R2 3225/4885

“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.