SCHEMBL21996912

SCHEMBL21996912

CC(C)(C)C1CN(Cc2ccc(CO)cc2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
AGTR2 P50052 1/20 0.40
MGLL Q99685 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
S1PR1 P21453 3/20 0.38
S1PR4 O95977 1/20 0.38
S1PR3 Q99500 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CCR1 P32246 1/20 0.37

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
SCHEMBL3773661 0.89 AGTR2 (0.50) S1PR5MEN1KMT2AAGTR2
SCHEMBL25317215 0.88 LMNA (0.46) S1PR5AGTR2MGLLPTGDR2S1PR1
SCHEMBL21997577 0.88 CA2 (0.42) S1PR5AGTR2MGLLPTGDR2S1PR1
SCHEMBL2326600 0.87 HRH3 (0.45) S1PR5MEN1KMT2AHRH3
SCHEMBL211059 0.86 DRD2 (0.43) S1PR5AGTR2MGLLPTGDR2S1PR1
SCHEMBL28927825 0.82 MGLL (0.51) AGTR2MGLLPTGDR2CCR1
SCHEMBL28653667 0.82 MGLL (0.51) AGTR2MGLLPTGDR2CCR1
SCHEMBL28653669 0.82 MGLL (0.51) AGTR2MGLLPTGDR2CCR1
SCHEMBL28801840 0.82 DRD2 (0.47) MEN1KMT2AHRH3
SCHEMBL5386962 0.79 DRD2 (0.41) AGTR2

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 9 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-20230089916-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-23 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-2020264490-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 (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-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 S1PR5 2251/4885MEN1 4055/4885KMT2A 445/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 S1PR5 2251/4885MEN1 4055/4885KMT2A 445/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 S1PR5 2251/4885MEN1 4055/4885KMT2A 445/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 S1PR5 2251/4885MEN1 4055/4885KMT2A 445/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 S1PR5 2251/4885MEN1 4055/4885KMT2A 445/4885
US-20230089916-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK1, IRAK3 S1PR5 2752/4885MEN1 3711/4885KMT2A 246/4885

“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.