SCHEMBL6325491

SCHEMBL6325491

O=C(O)[C@H](CC1CCCCC1)N(C(=O)c1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccc2cccc-2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.34
METAP1 P53582 1/20 0.34
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
CTSS P25774 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PYGL P06737 1/20 0.32
CCR5 P51681 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
BCHE P06276 3/20 0.32
GCK P35557 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL6316100 0.85 ADAMTS5 (0.38)
SCHEMBL6319777 0.82 MME (0.35) ADRB1ADRB3MME
SCHEMBL6325486 0.74 MMP12 (0.41)
SCHEMBL6325481 0.74 MMP12 (0.41)
SCHEMBL6325068 0.71 ADAMTS5 (0.39) MME
SCHEMBL6324798 0.67 NPC1 (0.39)
SCHEMBL6316111 0.67 PPARA (0.38)
SCHEMBL6324779 0.67 PPARA (0.38)
SCHEMBL6317829 0.66 TP53 (0.36)
SCHEMBL9108820 0.62 MEN1 (0.57) METAP2GRNSORT1SLC6A2SLC6A4

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 4 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
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US 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 METAP2 1251/4885METAP1 323/4885ADRB1 3330/4885

“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.