SCHEMBL22909253

SCHEMBL22909253

CC(C)c1ccccc1Oc1cccc2c1C(=O)NC(=O)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.45
▸ CASP2 P42575 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CASP8 Q14790 1/20 0.45
▸ P2RX3 P56373 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ DAO P14920 1/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ STK10 O94804 2/20 0.36
▸ SLK Q9H2G2 2/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ STK33 Q9BYT3 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ TLK1 Q9UKI8 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
SCHEMBL26454576 0.88 P2RX3 (0.36) CASP3CASP2CASP7CASP6CASP8
SCHEMBL22525903 0.82 CASP3 (0.52) CASP3CASP2CASP7CASP6CASP8
SCHEMBL22904576 0.81 DAO (0.50) CASP3CASP2CASP7CASP6CASP8
SCHEMBL26473527 0.77 HDAC4 (0.41) CASP3CASP2CASP7CASP6CASP8
SCHEMBL22904356 0.76 TDP2 (0.48) CASP3CASP7CASP6CASP8P2RX3
SCHEMBL29794338 0.76 TDP2 (0.48) CASP3CASP7CASP6CASP8P2RX3
SCHEMBL262473 0.75 GSK3B (0.50) CASP3CASP2CASP7CASP6CASP8
SCHEMBL26454563 0.74 P2RX3 (0.35) P2RX3P2RX2KMT2AALDH1A1MEN1
SCHEMBL4575432 0.73 P2RX3 (0.58) P2RX3P2RX2LMNAKMT2AALDH1A1
SCHEMBL29959656 0.73 P2RX3 (0.58) P2RX3P2RX2LMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 — — US disclosed
WO-2021011871-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — 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-20230132715-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CASP3 816/4885CASP2 406/4885CASP7 456/4885

“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.

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