SCHEMBL25877951

SCHEMBL25877951

CC(=O)[C@H]1CC[C@H](COCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
AGTR2 P50052 1/20 0.43
GAA P10253 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL3398972 0.88 ALDH1A1 (0.55) ALDH1A1CTSLCTSBCTSKAGTR2
SCHEMBL22849511 0.88 ALDH1A1 (0.55) ALDH1A1CTSLCTSBCTSKAGTR2
SCHEMBL17803036 0.86 AGTR2 (0.47) ALDH1A1CTSLCTSBCTSKAGTR2
SCHEMBL1913003 0.85 ALDH1A1 (0.50) ALDH1A1CTSLCTSBCTSKGAA
SCHEMBL757461 0.85 ALDH1A1 (0.50) ALDH1A1CTSLCTSBCTSKGAA
SCHEMBL16398138 0.85 TSHR (0.57) CTSLCTSBCTSKAGTR2GAA
SCHEMBL22835418 0.85 AGTR2 (0.46) ALDH1A1CTSLCTSBCTSKAGTR2
SCHEMBL22849113 0.85 AGTR2 (0.46) ALDH1A1CTSLCTSBCTSKAGTR2
SCHEMBL16398139 0.85 TSHR (0.57) CTSLCTSBCTSKAGTR2GAA
SCHEMBL12093795 0.85 ALDH1A1 (0.41) ALDH1A1CTSLCTSBCTSKAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 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 (4 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-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885CTSL 941/4885CTSB 527/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885CTSL 941/4885CTSB 527/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885CTSL 941/4885CTSB 527/4885
US-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885CTSL 941/4885CTSB 527/4885

“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.