SCHEMBL23728530

SCHEMBL23728530

NC(=S)C1CCCC(COCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
BUB1 O43683 1/20 0.40
AGTR2 P50052 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
NAAA Q02083 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL23728448 0.83 CTSL (0.45) CTSLCTSBCTSKBUB1TAAR1
SCHEMBL23744430 0.83 CTSL (0.45) CTSLCTSBCTSKBUB1TAAR1
SCHEMBL28840618 0.79 ALDH1A1 (0.43) CTSLCTSBCTSKAGTR2TSHR
SCHEMBL6649338 0.79 TSHR (0.54) CTSLCTSBCTSKTAAR1TSHR
SCHEMBL7280676 0.79 CTSL (0.46) CTSLCTSBCTSKAGTR2TAAR1
SCHEMBL27196374 0.79 CTSL (0.46) CTSLCTSBCTSKAGTR2TAAR1
SCHEMBL7279522 0.79 CTSL (0.46) CTSLCTSBCTSKAGTR2TSHR
SCHEMBL4677170 0.76 TSHR (0.54) CTSLCTSBCTSKTAAR1TSHR
SCHEMBL403013 0.74 CTSL (0.45) CTSLCTSBCTSKAGTR2TSHR
SCHEMBL2701945 0.74 CTSL (0.53) CTSLCTSBCTSKTAAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230122219-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-20 US disclosed
EP-4100004-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 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 (1 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-20230122219-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CTSL 941/4885CTSB 527/4885CTSK 529/4885

“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.