SCHEMBL2157484

SCHEMBL2157484

O=C(O)c1sc(-c2ccccc2)cc1N(Cc1ccccc1)C(=O)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
PTPRF P10586 1/20 0.40
PTPN1 P18031 1/20 0.40
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL3811144 0.95 CPB1 (0.49) CPB1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2157798 0.93 CPB1 (0.45) CPB1MEN1KMT2AHTTKDM4E
SCHEMBL3815084 0.92 CPB1 (0.44) CPB1MEN1KMT2ACYP3A4HTT
SCHEMBL3811465 0.92 CPB1 (0.44) CPB1HTTKDM4EATMNR1H4
SCHEMBL3811128 0.91 NR1H4 (0.49) CPB1NR1H4
SCHEMBL3815295 0.90 CPB1 (0.42) CPB1MEN1KMT2ANR1H4
SCHEMBL2157547 0.90 PTGES (0.44) CPB1HTTKDM4EATMNR1H4
SCHEMBL2157403 0.89 CNR2 (0.44) CPB1LMNASMN1; SMN2HTTNR1H4
SCHEMBL3815493 0.89 CPB1 (0.41) CPB1MEN1KMT2APTPN1
SCHEMBL3807291 0.88 CPB1 (0.43) CPB1MEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
US-20040116509-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2004-06-17 US 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 CPB1 536/4885MEN1 3052/4885KMT2A 3270/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS CPB1 536/4885MEN1 3052/4885KMT2A 3270/4885
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS CPB1 536/4885MEN1 3052/4885KMT2A 3270/4885

“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.