SCHEMBL23061330

SCHEMBL23061330

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)OCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
IDO1 P14902 2/20 0.40
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
BCHE P06276 1/20 0.37
CNR2 P34972 1/20 0.37
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
EPHX1 P07099 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 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
SCHEMBL21657442 0.87 TDP1 (0.43) TDP1CA12CA1CA2CA9
SCHEMBL23499716 0.87 TDP1 (0.43) TDP1CA12CA1CA2CA9
SCHEMBL19451348 0.86 TDP1 (0.47) TDP1CA12CA1CA2CA9
SCHEMBL18886420 0.86 TDP1 (0.47) TDP1CA12CA1CA2CA9
SCHEMBL25063467 0.85 TDP1 (0.44) TDP1CA12CA1CA2CA9
SCHEMBL21082300 0.85 TDP1 (0.46) TDP1CA12CA1CA2CA9
SCHEMBL25756409 0.85 TDP1 (0.46) TDP1CA12CA1CA2CA9
SCHEMBL22256341 0.85 TDP1 (0.46) TDP1CA12CA1CA2CA9
SCHEMBL13699508 0.85 TDP1 (0.46) TDP1CA12CA1CA2CA9
SCHEMBL3198212 0.85 TDP1 (0.49) TDP1CA12CA1CA2CA9

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
EP-4399208-A1 IRAK INHIBITOR FOR TREATING CYTOKINE RELEASE-RELATED CONDITIONS ASSOCIATED WITH INFECTION BY A RESPIRATORY VIRUS Rigel Pharmaceuticals, Inc. (US) 2024-07-17 EP disclosed
US-20230399326-A1 PYRAZOLE COMPOUNDS, FORMULATIONS THEREOF, AND A METHOD FOR USING THE COMPOUNDS AND/OR FORMULATIONS RIGEL PHARMACEUTICALS, INC. (US) 2023-12-14 US disclosed
US-20230399326-A1 PYRAZOLE COMPOUNDS, FORMULATIONS THEREOF, AND A METHOD FOR USING THE COMPOUNDS AND/OR FORMULATIONS RIGEL PHARMACEUTICALS, INC. (US) 2023-12-14 US disclosed
WO-2023038815-A1 IRAK INHIBITOR FOR TREATING CYTOKINE RELEASE-RELATED CONDITIONS ASSOCIATED WITH INFECTION BY A RESPIRATORY VIRUS RIGEL PHARMACEUTICALS, INC. (US) 2023-03-16 WO disclosed
WO-2022187303-A1 A METHOD FOR TREATING A DISEASE OR CONDITION USING A PYRAZOLE COMPOUND OR FORMULATION THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2022-09-09 WO disclosed
US-11370787-B2 Pyrazole compounds, formulations thereof, and a method for using the compounds and/or formulations RIGEL PHARMACEUTICALS, INC. (US) 2022-06-28 US disclosed
EP-4009974-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME Rigel Pharmaceuticals, Inc. (US) 2022-06-15 EP disclosed
CN-114364674-A Pyrazole compounds, formulations thereof, and methods of using the compounds and/or formulations 里格尔药品股份有限公司 2022-04-15 CN disclosed
US-20210061798-A1 PYRAZOLE COMPOUNDS, FORMULATIONS THEREOF, AND A METHOD FOR USING THE COMPOUNDS AND/OR FORMULATIONS RIGEL PHARMACEUTICALS, INC. (US) 2021-03-04 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 (3 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-20210061798-A1 PYRAZOLE COMPOUNDS, FORMULATIONS THEREOF, AND A METHOD FOR USING THE COMPOUNDS AND/OR FORMULATIONS IRAK1, IRAK3, IRAK2 TDP1 618/4885CA12 4880/4885CA1 4790/4885
US-11370787-B2 Pyrazole compounds, formulations thereof, and a method for using the compounds and/or formulations IRAK1, IRAK3, IRAK2 TDP1 618/4885CA12 4880/4885CA1 4790/4885
US-20230399326-A1 PYRAZOLE COMPOUNDS, FORMULATIONS THEREOF, AND A METHOD FOR USING THE COMPOUNDS AND/OR FORMULATIONS IRAK1, IRAK3, IRAK2 TDP1 618/4885CA12 4880/4885CA1 4790/4885

“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.