SCHEMBL6319932

SCHEMBL6319932

O=C(O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.42
PPARA Q07869 2/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL6320755 1.00 PTGES (0.42) PTGESPPARATMEM97SIGMAR1FLT1
SCHEMBL6317898 0.92 PPARA (0.45) PTGESPPARA
SCHEMBL6317896 0.92 PPARA (0.45) PTGESPPARA
SCHEMBL6316343 0.91 PPARA (0.43) PPARATMEM97SIGMAR1NPC1RAB9A
SCHEMBL6316341 0.91 PPARA (0.43) PPARATMEM97SIGMAR1NPC1RAB9A
SCHEMBL6322860 0.91 PPARA (0.44) PPARATMEM97SIGMAR1NPC1RAB9A
SCHEMBL6322854 0.91 PPARA (0.44) PPARATMEM97SIGMAR1NPC1RAB9A
SCHEMBL6317869 0.91 PPARA (0.48) PPARATMEM97SIGMAR1NPC1RAB9A
SCHEMBL6318050 0.90 PTGES (0.42) PTGES
SCHEMBL6318057 0.90 PTGES (0.42) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
US-20160333277-A1 METHOD FOR REMOVING SULFUR COMPOUNDS FROM HYDROCARBON STREAMS BASF SE (DE) 2016-11-17 US disclosed
US-20050101735-A1 Polymeric composition LUCITE INTERNATIONAL UK LIMITED (GB) 2005-05-12 US disclosed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-20040157968-A1 Polymeric composition LUCITE INTERNATIONAL UK LIMITED (GB) 2004-08-12 US disclosed
EP-1385907-A2 POLYMERIC COMPOSITION Lucite International UK Limited (GB) 2004-02-04 EP disclosed
EP-1383835-A2 POLYMERIC COMPOSITION Lucite International UK Limited (GB) 2004-01-28 EP disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US disclosed
WO-2002083788-A2 POLYMERIC COMPOSITION LUCITE INTERNATIONAL UK LIMITED (GB) 2002-10-24 WO disclosed
WO-2002083787-A2 POLYMERIC COMPOSITION LUCITE INTERNATIONAL UK LIMITED (GB) 2002-10-24 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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS PTGES 2158/4885PPARA 2311/4885TMEM97 2467/4885

“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.