SCHEMBL26454573

SCHEMBL26454573

C=C1NC(=O)c2c(Oc3cccc(C(C)C)c3)cccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ PTGS1 P23219 1/20 0.34
▸ STK10 O94804 2/20 0.33
▸ SLK Q9H2G2 2/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KCNA3 P22001 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MDM4 O15151 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL26473527 0.89 HDAC4 (0.41) CASP1HDAC4HDAC8PTGS1STK10
SCHEMBL26454568 0.88 MCL1 (0.39) CASP1ADORA2AKDM4EHPGDALDH1A1
SCHEMBL26454576 0.79 P2RX3 (0.36) STK10SLKNR1H3KDM4EHPGD
SCHEMBL26454561 0.78 HDAC4 (0.38) CASP1HDAC4HDAC8PTGS1KDM4E
SCHEMBL26473511 0.75 TDP2 (0.45) CASP1HDAC4HDAC8PTGS1KDM4E
SCHEMBL25467806 0.72 DPP4 (0.36) PTGS1NR1H3ADORA2AKDM4EHPGD
SCHEMBL12767605 0.72 PTGS1 (0.49) CASP1HDAC4HDAC8PTGS1KDM4E
SCHEMBL22909125 0.69 SOD1 (0.40) STK10SLKKDM4EALDH1A1SMN1; SMN2
SCHEMBL25467807 0.69 HPGD (0.49) PTGS1NR1H3KDM4EHPGDGFER
SCHEMBL25467809 0.68 HPGD (0.48) PTGS1NR1H3KDM4EHPGDGFER

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 1 patent. 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

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 CASP1 69/4885HDAC4 531/4885HDAC8 471/4885

“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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