SCHEMBL21996268

SCHEMBL21996268

CC(C)(C)OC(=O)NCc1ccc(COS(C)(=O)=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
NR1H4 Q96RI1 2/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 2/20 0.38
GAA P10253 1/20 0.38
KDM4A O75164 1/20 0.38
CA9 Q16790 1/20 0.38
NQO2 P16083 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
GRM2 Q14416 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
EPAS1 Q99814 1/20 0.37

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
SCHEMBL26828546 0.83 EPHX2 (0.42) EPHX2NR1H4GAAKDM4AL3MBTL1
SCHEMBL12231326 0.83 GRM2 (0.43) EPHX2NR1H4GAAKDM4AL3MBTL1
SCHEMBL19716620 0.82 CA1 (0.50) CA1CA2CA12GAAL3MBTL1
SCHEMBL24493194 0.82 HDAC10 (0.42) EPHX2NR1H4CA1CA2GAA
SCHEMBL16935706 0.82 GRM2 (0.43) EPHX2NR1H4CA1CA2GAA
SCHEMBL30898264 0.81 GLS (0.49) CA1CA2CA12GAAKDM4A
SCHEMBL16785102 0.81 GLS (0.49) CA1CA2CA12GAAKDM4A
SCHEMBL4894133 0.80 NQO2 (0.49) EPHX2NR1H4KDM4ANQO2
SCHEMBL20256516 0.79 NQO2 (0.42) CA1CA2CA12KDM4ACA9
SCHEMBL29924728 0.79 GRM2 (0.49) EPHX2NR1H4CA1CA2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807620-B2 Quinazolinone compounds and related compounds Plexium, Inc. (US) 2023-11-07 US disclosed
EP-3886854-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF Nuvation Bio Inc. (US) 2021-10-06 EP disclosed
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NUVATION BIO INC. (BM) 2021-06-15 US disclosed
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NUVATION BIO INC. (BM) 2021-06-15 US disclosed
US-20200239433-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-30 US disclosed
US-20200239433-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-30 US disclosed
WO-2020113094-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF NUVATION BIO INC. (US) 2020-06-04 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 (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-20200239433-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF NCOA3, NCOA1, NR3C1 EPHX2 3882/4885NR1H4 69/4885CA1 4265/4885
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NCOA3, NCOA1, NR3C1 EPHX2 3882/4885NR1H4 69/4885CA1 4265/4885
US-11807620-B2 Quinazolinone compounds and related compounds NQO2, COQ8A, PARK7 EPHX2 4078/4885NR1H4 2685/4885CA1 4779/4885

“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.