SCHEMBL6324583

SCHEMBL6324583

CN(C(=O)c1ccc(Cl)cc1Cl)C(Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP3A4 P08684 3/20 0.43
UGCG Q16739 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 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
SCHEMBL6325131 0.89 TMEM97 (0.49) PPARACYP3A4TSHRCASP1SMN1; SMN2
SCHEMBL6325127 0.89 TMEM97 (0.49) PPARACYP3A4TSHRCASP1SMN1; SMN2
SCHEMBL6316341 0.83 PPARA (0.43) PPARGPPARATMEM97SIGMAR1
SCHEMBL6316343 0.83 PPARA (0.43) PPARGPPARATMEM97SIGMAR1
SCHEMBL6317288 0.81 PPARA (0.46) PPARGPPARACYP3A4TSHRCASP1
SCHEMBL6316828 0.81 CYP3A4 (0.41) CYP3A4TSHRCASP1SMN1; SMN2TMEM97
SCHEMBL6318420 0.81 CYP3A4 (0.43) PPARACYP3A4
SCHEMBL6317818 0.78 MMP12 (0.44) SMN1; SMN2ADAMTS5
SCHEMBL12813302 0.75 MME (0.47) PPARGPPARA
SCHEMBL12813300 0.75 MME (0.47) PPARGPPARA

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-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-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
EP-1395571-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Shire Biochem Inc. (CA) 2004-03-10 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-2002100846-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS 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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS PPARG 2178/4885PPARA 2311/4885CYP3A4 452/4885

“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.