SCHEMBL21997079

SCHEMBL21997079

CNCCCOCCCNC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1B P28222 1/20 0.38
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
NSD2 O96028 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8958187 0.89 TSHR (0.41) ALDH1A1TSHRL3MBTL1RECQLMAPT
SCHEMBL8958265 0.87 TSHR (0.40) ALDH1A1TSHRL3MBTL1RECQLMAPT
SCHEMBL20556415 0.87 TSHR (0.40) ALDH1A1TSHRL3MBTL1RECQLMAPT
SCHEMBL4965925 0.84
SCHEMBL691823 0.84 KDM4E (0.46) ALDH1A1KDM4ETSHRL3MBTL1SMN1; SMN2
SCHEMBL26279564 0.83 MAPK1 (0.54) ALDH1A1KDM4ETSHRL3MBTL1HSD17B10
SCHEMBL28501706 0.83 MEN1 (0.45) ALDH1A1KDM4EL3MBTL1TDP1HTR1B
Ethylene Glycol SCHEMBL8958263 0.83 ACHE (0.38) ALDH1A1TSHRL3MBTL1RECQLMAPT
SCHEMBL25332483 0.82 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL21111516 0.82 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240059674-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-02-22 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
EP-3989966-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-05-04 EP disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 US disclosed
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 WO 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 (7 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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885TSHR 3319/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885TSHR 3319/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885TSHR 3319/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885TSHR 3319/4885
US-20240059674-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885TSHR 3319/4885
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF IRAK4, IRAK2, IRAK3 ALDH1A1 3918/4885KDM4E 87/4885TSHR 2572/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KDM4E 190/4885TSHR 3319/4885

“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.