SCHEMBL22986774

SCHEMBL22986774

C#CCCNC1CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 2/20 0.33
HSD11B1 P28845 4/20 0.33
CYP2C9 P11712 1/20 0.33
NAMPT P43490 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
KCNA3 P22001 1/20 0.31

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
SCHEMBL15295730 1.00 CTSK (0.35) CTSKALDH1A1MEN1TSHRKMT2A
SCHEMBL22946500 0.90 CTSK (0.37) CTSKALDH1A1MEN1TSHRKMT2A
SCHEMBL22730802 0.87 HSD11B1 (0.37) CTSKALDH1A1MEN1TSHRKMT2A
SCHEMBL16439228 0.81 CTSK (0.47) CTSKEPHX1HSD11B1CYP2C9NAMPT
SCHEMBL16426507 0.81 MEN1 (0.33) ALDH1A1MEN1TSHRKMT2AHSD11B1
SCHEMBL15295723 0.81 MEN1 (0.33) ALDH1A1MEN1TSHRKMT2AHSD11B1
SCHEMBL22986776 0.81 MEN1 (0.33) ALDH1A1MEN1TSHRKMT2AHSD11B1
SCHEMBL6857618 0.80 SIGMAR1 (0.35) ALDH1A1MEN1TSHRKMT2AKCNA3
SCHEMBL2337706 0.80 SIGMAR1 (0.35) ALDH1A1MEN1TSHRKMT2AKCNA3
SCHEMBL2337700 0.80 SIGMAR1 (0.35) ALDH1A1MEN1TSHRKMT2AKCNA3

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 CTSK 1231/4885ALDH1A1 316/4885MEN1 1764/4885

“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.