SCHEMBL22986776

SCHEMBL22986776

C#CCCN(C(=O)OC(C)(C)C)C1CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 2/20 0.32
CCR5 P51681 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
SCHEMBL15295723 1.00 MEN1 (0.33) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL16426507 1.00 MEN1 (0.33) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL22946501 0.91 MEN1 (0.33) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL28473882 0.81 HSD11B1 (0.39) MEN1ALDH1A1KMT2AHSD11B1CCR5
SCHEMBL15285474 0.81 HPGD (0.45) MEN1ALDH1A1KMT2A
SCHEMBL22986774 0.81 CTSK (0.35) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL15295730 0.81 CTSK (0.35) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL16426508 0.80 MEN1 (0.30) MEN1ALDH1A1TSHRKMT2A
SCHEMBL22946500 0.79 CTSK (0.37) MEN1ALDH1A1TSHRKMT2AHSD11B1
SCHEMBL16383192 0.79 HSD11B1 (0.35) MEN1ALDH1A1TSHRKMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210046057-A1 Beta-lactamase inhibitor and use thereof Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2021-02-18 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-20210046057-A1 Beta-lactamase inhibitor and use thereof CYP51A1, LCT, CEL MEN1 1764/4885ALDH1A1 316/4885TSHR 4537/4885

“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.