SCHEMBL6324767

SCHEMBL6324767

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 4/20 0.40
MMP8 P22894 4/20 0.40
F2 P00734 1/20 0.38
MMP1 P03956 2/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
AVPR1B P47901 2/20 0.38
AVPR1A P37288 3/20 0.37
P2RY14 Q15391 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ERN1 O75460 1/20 0.36

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
SCHEMBL6324764 1.00 BMP1 (0.40) BMP1MMP8F2MMP1MMP12
SCHEMBL6323795 0.96 F2 (0.42) BMP1MMP8F2MMP1MMP12
SCHEMBL6323789 0.96 F2 (0.42) BMP1MMP8F2MMP1MMP12
SCHEMBL6318024 0.90 BMP1 (0.43) BMP1MMP8F2MMP1MMP12
SCHEMBL6324238 0.89 AVPR1B (0.42) BMP1MMP8F2MMP1AVPR1B
SCHEMBL6325244 0.89 AVPR1B (0.42) BMP1MMP8F2MMP1AVPR1B
SCHEMBL6326062 0.85 F2 (0.44) BMP1MMP8F2MMP1AVPR1B
SCHEMBL6319886 0.83 F2 (0.45) BMP1MMP8F2MMP1AVPR1B
SCHEMBL6319877 0.83 F2 (0.45) BMP1MMP8F2MMP1AVPR1B
SCHEMBL6325210 0.79 F2 (0.50) BMP1MMP8F2MMP1AVPR1B

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

“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.