SCHEMBL6323795

SCHEMBL6323795

COc1cc(C)c(S(=O)(=O)N(Cc2ccc(-c3cc4ccccc4o3)cc2)C(Cc2ccccc2)C(=O)O)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
BMP1 P13497 4/20 0.41
MMP8 P22894 4/20 0.41
AVPR1B P47901 3/20 0.41
AVPR1A P37288 4/20 0.40
ACHE P22303 2/20 0.40
MMP1 P03956 2/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
BCHE P06276 4/20 0.39
CNR1 P21554 1/20 0.39
P2RY14 Q15391 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL6323789 1.00 F2 (0.42) F2BMP1MMP8AVPR1BAVPR1A
SCHEMBL6324767 0.96 BMP1 (0.40) F2BMP1MMP8AVPR1BAVPR1A
SCHEMBL6324764 0.96 BMP1 (0.40) F2BMP1MMP8AVPR1BAVPR1A
SCHEMBL6318024 0.94 BMP1 (0.43) F2BMP1MMP8AVPR1BAVPR1A
SCHEMBL6324238 0.93 AVPR1B (0.42) F2BMP1MMP8AVPR1BAVPR1A
SCHEMBL6325244 0.93 AVPR1B (0.42) F2BMP1MMP8AVPR1BAVPR1A
SCHEMBL6326062 0.88 F2 (0.44) F2BMP1MMP8AVPR1BAVPR1A
SCHEMBL6319877 0.87 F2 (0.45) F2BMP1MMP8AVPR1BAVPR1A
SCHEMBL6319886 0.87 F2 (0.45) F2BMP1MMP8AVPR1BAVPR1A
SCHEMBL6325210 0.83 F2 (0.50) F2BMP1MMP8AVPR1BAVPR1A

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 F2 691/4885BMP1 3222/4885MMP8 2160/4885

“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.