SCHEMBL2157792

SCHEMBL2157792

CC(=O)N(Cc1cccc(C)c1)c1csc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.54
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
JAK2 O60674 1/20 0.46
HTT P42858 1/20 0.46
PAX8 Q06710 1/20 0.46
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2157679 0.87 NR1H4 (0.47) TSPOKMT2AMEN1RAB9ANPC1
SCHEMBL2157683 0.87 TSPO (0.47) TSPOKMT2AMEN1L3MBTL1HSD17B1
SCHEMBL2157848 0.86 RAB9A (0.48) TSPOKMT2AMEN1RAB9ANPC1
SCHEMBL2157659 0.81 TSPO (0.43) TSPOKMT2AMEN1L3MBTL1RAB9A
SCHEMBL12464386 0.79 PTGDR2 (0.54) TSPOKMT2AMEN1L3MBTL1RAB9A
SCHEMBL2157926 0.78 RAB9A (0.39) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL12764035 0.77 TSPO (0.77) TSPOKMT2AMEN1RAB9ANPC1
SCHEMBL2158851 0.77 LTB4R2 (0.48) TSPOKMT2AMEN1RAB9ANPC1
SCHEMBL2158771 0.77 KMT2A (0.46) TSPOKMT2AMEN1L3MBTL1RAB9A
SCHEMBL12464650 0.76 NR1H4 (0.50) TSPOKMT2AMEN1RAB9ANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (1 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS TSPO 2027/4885KMT2A 3270/4885MEN1 3052/4885

“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.