SCHEMBL25878123

SCHEMBL25878123

CN(CCCO[C@H]1C[C@H](C)C1)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
TMEM97 Q5BJF2 3/20 0.42
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL26351569 1.00 SIGMAR1 (0.42) SIGMAR1TMEM97ITGB3ITGA2BALDH1A1
SCHEMBL25726336 0.89 SIGMAR1 (0.41) SIGMAR1TMEM97ITGB3ITGA2BALDH1A1
SCHEMBL26351568 0.89 SIGMAR1 (0.41) SIGMAR1TMEM97ITGB3ITGA2BALDH1A1
SCHEMBL21997855 0.89 SIGMAR1 (0.41) SIGMAR1TMEM97ITGB3ITGA2BALDH1A1
SCHEMBL29751192 0.83 L3MBTL1 (0.42) SIGMAR1TMEM97ITGB3ITGA2BALDH1A1
SCHEMBL25726330 0.81 L3MBTL1 (0.47) SIGMAR1TMEM97ITGB3ITGA2BALDH1A1
SCHEMBL21997469 0.81 L3MBTL1 (0.47) SIGMAR1TMEM97ITGB3ITGA2BALDH1A1
SCHEMBL25973768 0.79 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL26102752 0.79 L3MBTL1 (0.47) SIGMAR1TMEM97L3MBTL1HTR2C
SCHEMBL1896919 0.78 ALDH1A1 (0.49) SIGMAR1ITGB3ITGA2BALDH1A1TDP1

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-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 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-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885TMEM97 3971/4885ITGB3 3396/4885
US-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885TMEM97 3971/4885ITGB3 3396/4885

“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.