SCHEMBL2158125

SCHEMBL2158125

CC(C)(C)OC(=O)c1sc(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
RAB9A P51151 4/20 0.52
NPSR1 Q6W5P4 4/20 0.52
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 6/20 0.51
HPGD P15428 6/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 6/20 0.49
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
ALOX15 P16050 1/20 0.46
PKM P14618 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GRM6 O15303 1/20 0.45
PTPN5 P54829 1/20 0.45

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
SCHEMBL2158017 0.83 HPGD (0.47) KDM4ERAB9ANPSR1NPC1ALDH1A1
SCHEMBL2157737 0.81 MAPT (0.44) KDM4ERAB9ANPSR1NPC1ALDH1A1
SCHEMBL1799511 0.80 GAA (0.72) KDM4ERAB9ANPSR1NPC1ALDH1A1
SCHEMBL3494989 0.77 NPC1 (0.70) KDM4ERAB9ANPSR1NPC1ALDH1A1
SCHEMBL3204397 0.76 NPSR1 (0.43) NPSR1KMT2ARXFP1
SCHEMBL3498598 0.75 KDM4E (0.47) KDM4ERAB9ANPSR1NPC1ALDH1A1
SCHEMBL1799961 0.72 ALDH1A1 (0.62) KDM4ERAB9ANPSR1NPC1ALDH1A1
SCHEMBL3496455 0.72 ALDH1A1 (0.58) KDM4ERAB9ANPSR1NPC1ALDH1A1
SCHEMBL7264963 0.71 GRM6 (0.51) KDM4ERAB9ANPC1ALDH1A1HPGD
SCHEMBL722115 0.71 ALDH1A1 (0.56) KDM4EALDH1A1HPGDMAPTSMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 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
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
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 KDM4E 3220/4885RAB9A 1333/4885NPSR1 2975/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS KDM4E 3220/4885RAB9A 1333/4885NPSR1 2975/4885
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS KDM4E 3220/4885RAB9A 1333/4885NPSR1 2975/4885

“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.