SCHEMBL21997276

SCHEMBL21997276

CC(C)(C)OC(=O)NCCCCCCCS(=O)(=O)O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
CA1 P00915 10/20 0.54
CA2 P00918 10/20 0.54
CA12 O43570 7/20 0.54
CA9 Q16790 7/20 0.54
EPHX2 P34913 1/20 0.45
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL21494308 0.98 TDP1 (0.64) TDP1MAOAMAOBMEN1GAA
SCHEMBL917886 0.95 TDP1 (0.64) TDP1MAOAMAOBMEN1GAA
SCHEMBL7352046 0.87 TDP1 (0.58) TDP1MAOAMAOBMEN1GAA
SCHEMBL5162656 0.87 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL137629 0.87 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL343629 0.87 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL3025184 0.87 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL136815 0.87 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL134329 0.87 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL140853 0.87 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA

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-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US 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
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US 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 (5 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-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TDP1 236/4885MAOA 2771/4885MAOB 2743/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TDP1 236/4885MAOA 2771/4885MAOB 2743/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TDP1 236/4885MAOA 2771/4885MAOB 2743/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TDP1 236/4885MAOA 2771/4885MAOB 2743/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TDP1 236/4885MAOA 2771/4885MAOB 2743/4885

“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.