SCHEMBL2157683

SCHEMBL2157683

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RIPK1 Q13546 1/20 0.43
AOC3 Q16853 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
PTPRC P08575 1/20 0.41
PTPRG P23470 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
LTB4R2 Q9NPC1 2/20 0.40
CNR1 P21554 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 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
SCHEMBL2158287 0.88 PTGDR2 (0.46) KMT2ARIPK1AOC3MAPTTP53
SCHEMBL2157792 0.87 TSPO (0.54) TSPOL3MBTL1KMT2AMEN1MAPT
SCHEMBL2158682 0.86 LTB4R2 (0.48) KMT2AMEN1RIPK1AOC3MAPT
SCHEMBL2158321 0.79 CYP3A4 (0.47) KMT2AMAPTCNR1
SCHEMBL2157659 0.78 TSPO (0.43) TSPOL3MBTL1KMT2AMEN1MAPT
SCHEMBL2158429 0.78 LTB4R2 (0.47) KMT2AMAPTLTB4R2CNR1
SCHEMBL12464386 0.78 PTGDR2 (0.54) TSPOL3MBTL1KMT2AMEN1HSD17B1
SCHEMBL3815198 0.77 PTPRC (0.45) AOC3MAPTTP53PTPRCPTPRG
SCHEMBL2157845 0.77 LTB4R2 (0.48) KMT2AMAPTLTB4R2CNR1
SCHEMBL2157556 0.76 CPB1 (0.59) L3MBTL1KMT2AMEN1MAPTTSHR

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 5 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-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 2027/4885L3MBTL1 3363/4885KMT2A 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.