SCHEMBL6323799

SCHEMBL6323799

COc1cc(C)c(S(=O)(=O)N(C(c2ccccc2)c2ccc3cccc-3o2)[C@@H](Cc2ccccc2)C(=O)O)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.42
F2 P00734 2/20 0.42
AVPR1A P37288 5/20 0.38
BMP1 P13497 2/20 0.36
MMP8 P22894 2/20 0.36
ADAMTS5 Q9UNA0 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE7B Q9NP56 1/20 0.34

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
SCHEMBL6324491 1.00 AVPR1B (0.42) AVPR1BF2AVPR1ABMP1MMP8
SCHEMBL6324773 0.95 AVPR1B (0.39) AVPR1BF2AVPR1ABMP1MMP8
SCHEMBL6318039 0.94 AVPR1B (0.43) AVPR1BF2AVPR1ABMP1MMP8
SCHEMBL6324242 0.84 F2 (0.43) AVPR1BF2AVPR1ABMP1MMP8
SCHEMBL6318209 0.84 F2 (0.43) AVPR1BF2AVPR1ABMP1MMP8
SCHEMBL6326062 0.78 F2 (0.44) AVPR1BF2AVPR1ABMP1MMP8
SCHEMBL6319886 0.77 F2 (0.45) AVPR1BF2AVPR1ABMP1MMP8
SCHEMBL6319877 0.77 F2 (0.45) AVPR1BF2AVPR1ABMP1MMP8
SCHEMBL6323795 0.74 F2 (0.42) AVPR1BF2AVPR1ABMP1MMP8
SCHEMBL6323789 0.74 F2 (0.42) AVPR1BF2AVPR1ABMP1MMP8

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 AVPR1B 2300/4885F2 691/4885AVPR1A 3689/4885

“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.