SCHEMBL3261966

SCHEMBL3261966

COc1ccc(CN2CCc3sc(C=C4C(=O)N5C(C(=O)O)=CCC45)cc3C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
TNF P01375 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
ACHE P22303 4/20 0.37
MAPT P10636 2/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
REV1 Q9UBZ9 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL3261962 1.00 ABCB1 (0.41) ABCB1ABCC1ABCG2TNFNOD2
SCHEMBL3222478 0.90 PRMT5 (0.45) ACHEMAPTPRMT5WDR77
SCHEMBL3222474 0.90 PRMT5 (0.45) ACHEMAPTPRMT5WDR77
SCHEMBL2924718 0.85 ABCB1 (0.39) ABCB1ABCC1ABCG2TNFNOD2
SCHEMBL2924715 0.85 ABCB1 (0.39) ABCB1ABCC1ABCG2TNFNOD2
SCHEMBL13424060 0.83 PTPN1 (0.42) MAPTPRMT5WDR77DRD2
SCHEMBL3225077 0.80 PRMT5 (0.35) MAPTPRMT5WDR77
SCHEMBL13424051 0.76 HDAC6 (0.31) HDAC6
SCHEMBL2927627 0.75 PRMT5 (0.43) ACHEMAPTPRMT5WDR77
SCHEMBL2927629 0.75 PRMT5 (0.43) ACHEMAPTPRMT5WDR77

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 US claimed
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 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-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors MGAM, CYP2C18, BCAT2 ABCB1 40/4885ABCC1 812/4885ABCG2 162/4885

“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.