SCHEMBL22553330

SCHEMBL22553330

CC(C)(C)N(C/C=C/CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.37
GABRR2 P28476 2/20 0.37
BLM P54132 2/20 0.37
GABRR3 A8MPY1 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL22553331 1.00 GABRR1 (0.37) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL22442278 0.89 MEN1 (0.35) LMNAMEN1HTTKMT2AL3MBTL1
SCHEMBL248983 0.74 MEN1 (0.38) LMNAMEN1HTTKMT2AL3MBTL1
SCHEMBL1579916 0.72 ALDH1A1 (0.35) LMNAMEN1HTTKMT2AL3MBTL1
SCHEMBL246225 0.70 MEN1 (0.34) GABRR1LMNAMEN1HTTKMT2A
SCHEMBL6228764 0.70 MEN1 (0.34) LMNAMEN1HTTKMT2AL3MBTL1
SCHEMBL17460039 0.69 MEN1 (0.32) MEN1HTTKMT2AL3MBTL1
SCHEMBL17460038 0.69 MEN1 (0.32) MEN1HTTKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL12487855 0.68 KDM4E (0.37) BLMNPSR1MEN1HTTKMT2A
Bicarbonate SCHEMBL4130664 0.68 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1

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-12178851-B2 Methods for administering STING agonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-12-31 US disclosed
US-20200330556-A1 Methods for Administering STING Agonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-22 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 (2 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-20200330556-A1 Methods for Administering STING Agonists STING1, CGAS, TLR9 GABRR1 2151/4885GABRR2 1999/4885BLM 87/4885
US-12178851-B2 Methods for administering STING agonists STING1, CGAS, TLR9 GABRR1 2151/4885GABRR2 1999/4885BLM 87/4885

“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.