SCHEMBL20439031

SCHEMBL20439031

COC(=O)CC(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA2 P00918 2/20 0.47
APLNR P35414 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DGAT1 O75907 1/20 0.39
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RECQL P46063 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL15228762 0.82 GAA (0.50) CA12CA14CA2APLNRGAA
SCHEMBL20578018 0.81 MEN1 (0.42) CA12CA14CA2APLNRGAA
SCHEMBL240769 0.78 CA1 (0.42) CA12CA14CA2APLNRGAA
SCHEMBL1261150 0.78 CYP2D6 (0.40) CA12CA14CA2APLNRGAA
SCHEMBL3755847 0.77 APLNR (0.41) CA12CA14CA2APLNRGAA
SCHEMBL22018439 0.77 TDP1 (0.44) CA12CA14CA2APLNRGAA
SCHEMBL13625265 0.77 APLNR (0.44) CA12CA14CA2APLNRGAA
SCHEMBL247123 0.77 TDP1 (0.44) CA12CA14CA2APLNRGAA
SCHEMBL101218 0.77 DGAT1 (0.46) CA12CA14CA2APLNRGAA
SCHEMBL28968170 0.76 CA1 (0.43) CA12CA14CA2APLNRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319300-B2 Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) 2022-05-03 US disclosed
US-11319300-B2 Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) 2022-05-03 US disclosed
US-20200165229-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) 2020-05-28 US disclosed
US-20200165229-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) 2020-05-28 US disclosed
WO-2018137555-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUND DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF 浙江大学 2018-08-02 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 (2 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-20200165229-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF BPHL, AR, FRK CA12 1261/4885CA14 727/4885CA2 485/4885
US-11319300-B2 Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof AKT1, AKT2, AKT3 CA12 1745/4885CA14 1412/4885CA2 920/4885

“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.