SCHEMBL25022751

SCHEMBL25022751

CC(C)(C)OC(=O)c1ccc(CN2CC(C(N)=O)CC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.59
SIRT2 Q8IXJ6 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL25023188 0.89 SMN1; SMN2 (0.67) SIRT1SIRT2SMN1; SMN2HTTALDH1A1
SCHEMBL24072995 0.89 SMN1; SMN2 (0.53) SIRT1SIRT2SMN1; SMN2HTTALDH1A1
SCHEMBL25023220 0.86 CYP3A4 (0.53) SIRT1SIRT2SMN1; SMN2ALDH1A1LMNA
SCHEMBL24073265 0.86 SMN1; SMN2 (0.50) SIRT1SIRT2SMN1; SMN2HTTALDH1A1
SCHEMBL25023221 0.85 SIRT1 (0.55) SIRT1SIRT2SMN1; SMN2HTTALDH1A1
SCHEMBL15415933 0.80 ALDH1A1 (0.64) SIRT1SIRT2SMN1; SMN2HTTALDH1A1
SCHEMBL4844448 0.79 HTT (0.58) SMN1; SMN2HTTALDH1A1NPC1RAB9A
SCHEMBL27188801 0.79 MAPK1 (0.59) SMN1; SMN2ALDH1A1LMNANPC1GLA
SCHEMBL25022935 0.79 SIRT2 (0.49) SIRT1SIRT2SMN1; SMN2HTTALDH1A1
SCHEMBL28882986 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HTTALDH1A1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4171547-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Axial Therapeutics, Inc. (US) 2023-05-03 EP disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 CN 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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 SIRT1 733/4885SIRT2 677/4885SMN1; SMN2 4036/4885

“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.