SCHEMBL21070535

SCHEMBL21070535

CCOC(=O)COCCCOCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 4/20 0.40
PAM P19021 2/20 0.40
TRPA1 O75762 1/20 0.40
EPHX2 P34913 1/20 0.40
CYP1A2 P05177 1/20 0.39
CES2 O00748 2/20 0.38
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL11895804 0.92 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21069919 0.92 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21069463 0.90 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21068824 0.90 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9195118 0.87 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9316839 0.86 TSHR (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL24882784 0.85 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21070768 0.85 CES2 (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21068650 0.85 ALDH1A1 (0.47) ALDH1A1PAMCYP1A2KMT2ATSHR
Hydrochloric Acid SCHEMBL8988950 0.85 TSHR (0.43) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-06 US disclosed
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 US disclosed
US-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 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 (6 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-10874743-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 GAA 1234/4885MGAM 738/4885SI 1454/4885
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 GAA 1234/4885MGAM 738/4885SI 1454/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 GAA 1234/4885MGAM 738/4885SI 1454/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 GAA 1234/4885MGAM 738/4885SI 1454/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 GAA 1234/4885MGAM 738/4885SI 1454/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 GAA 1234/4885MGAM 738/4885SI 1454/4885

“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.