SCHEMBL3226544

SCHEMBL3226544

CCOC(=O)N1CCc2c(oc3cc(/C=C4/C(=O)N5C(C(=O)O)=CCC45)nn23)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
AKR1B10 O60218 1/20 0.31
AKR1B1 P15121 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL6089801 0.86 TSHR (0.32) TSHR
SCHEMBL3588108 0.86 TSHR (0.32) TSHR
SCHEMBL3588111 0.86 TSHR (0.32) TSHR
SCHEMBL3225172 0.81
SCHEMBL3225182 0.81
SCHEMBL3220304 0.79
SCHEMBL3220296 0.79
SCHEMBL3584679 0.77 TP53 (0.36) AKR1B10AKR1B1
SCHEMBL3220175 0.73 SLC5A1 (0.36) TSHR
SCHEMBL3220181 0.73 SLC5A1 (0.36) TSHR

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 TSHR 4753/4885AKR1B10 1016/4885AKR1B1 1138/4885

“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.