SCHEMBL2158287

SCHEMBL2158287

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.46
RIPK1 Q13546 1/20 0.44
AOC3 Q16853 1/20 0.43
LTB4R2 Q9NPC1 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 3/20 0.41
PAX8 Q06710 2/20 0.41
JAK2 O60674 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.40
PTPRC P08575 1/20 0.40
PTPRG P23470 1/20 0.40
KMT2A Q03164 1/20 0.39
HSD17B1 P14061 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
SCHEMBL2158682 0.91 LTB4R2 (0.48) RIPK1AOC3LTB4R2NPC1ALDH1A1
SCHEMBL12464386 0.91 PTGDR2 (0.54) PTGDR2LTB4R2NPC1ALDH1A1HTT
SCHEMBL2158429 0.90 LTB4R2 (0.47) PTGDR2LTB4R2NPC1ALDH1A1HTT
SCHEMBL2157683 0.88 TSPO (0.47) RIPK1AOC3LTB4R2MAPTTP53
SCHEMBL2157522 0.84 PTGDR2 (0.56) PTGDR2HSD17B1HSD17B2
SCHEMBL2158851 0.84 LTB4R2 (0.48) PTGDR2LTB4R2NPC1ALDH1A1HTT
SCHEMBL2158410 0.81 PTGES (0.48) PTGDR2LTB4R2HDAC6NPC1ALDH1A1
SCHEMBL2157488 0.79 CRHBP (0.45) PTGDR2LTB4R2ALDH1A1HTTMAPT
SCHEMBL2157674 0.79 PTGDR2 (0.42) PTGDR2LTB4R2ALDH1A1RAB9AMAPT
SCHEMBL2158771 0.79 KMT2A (0.46) PTGDR2LTB4R2NPC1ALDH1A1HTT

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 PTGDR2 4606/4885RIPK1 3230/4885AOC3 1427/4885

“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.