SCHEMBL23608484

SCHEMBL23608484

CC(C)(C)OC(=O)Nc1cc(F)nc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EGLN2 Q96KS0 3/20 0.39
CYP17A1 P05093 2/20 0.39
MAPK14 Q16539 1/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
PSMB8 P28062 1/20 0.37
NAMPT P43490 1/20 0.37
RORC P51449 4/20 0.37
MAP4K4 O95819 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 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
SCHEMBL29883076 1.00 SYK (0.39) SYKRXFP1EGLN2CYP17A1MAPK14
SCHEMBL23608433 0.86 SMARCA2 (0.44) SYKRXFP1CYP17A1MAPK14TOP2A
SCHEMBL29818315 0.86 SMARCA2 (0.44) SYKRXFP1CYP17A1MAPK14TOP2A
SCHEMBL30955400 0.82 RXFP1 (0.40) SYKRXFP1CYP17A1MAPK14TOP2A
SCHEMBL23608429 0.80 RXFP1 (0.36) SYKRXFP1EGLN2CYP17A1MAPK14
SCHEMBL20607064 0.80 HIF1A (0.46) SYKCYP17A1MAPK14TOP2ATOP2B
SCHEMBL30955435 0.79 RXFP1 (0.38) SYKRXFP1CYP17A1MAPK14TOP2A
SCHEMBL23608697 0.79 SYK (0.39) SYKEGLN2CYP17A1TOP2ATOP2B
SCHEMBL31042935 0.79 CYP17A1 (0.40) SYKRXFP1EGLN2CYP17A1MAPK14
SCHEMBL23580230 0.79 IGF1R (0.39) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 CN disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 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-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A SYK 240/4885RXFP1 3776/4885EGLN2 4335/4885

“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.