SCHEMBL20575342

SCHEMBL20575342

COc1ccc(Cn2nc(/C(=C/N(C)C)C(=O)OC(C)C)c(C(C)(C)CNC(=O)OC(C)(C)C)c2C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.33
HTRA1 Q92743 2/20 0.32
ASIC1 P78348 1/20 0.32
AKR1C2 P52895 1/20 0.32
PTGER4 P35408 1/20 0.32
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPBWR1 P48145 1/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL19702814 0.91 PTGDR2 (0.35) PTGER4ALOX15L3MBTL1MEN1KMT2A
SCHEMBL19702812 0.85 PTGDR2 (0.35) PTGER4L3MBTL1MEN1KMT2ARET
SCHEMBL17777768 0.82 PTGDR2 (0.36) PTGER4ALOX15L3MBTL1BRD4KMT2A
SCHEMBL20575340 0.80 AKR1C3 (0.36) AKR1C3HTRA1AKR1C2PTGER4BRD4
SCHEMBL17777810 0.79 ASIC1 (0.36) ASIC1BRD4MEN1KMT2A
SCHEMBL17873350 0.77 AAK1 (0.35)
SCHEMBL17777930 0.72 KCNK3 (0.38) ASIC1MEN1KMT2A
SCHEMBL19702820 0.72 PTGDR2 (0.41) ALOX15L3MBTL1MEN1KMT2A
SCHEMBL19702813 0.72 PTGDR2 (0.41) ALOX15L3MBTL1MEN1KMT2A
SCHEMBL19659387 0.71 CYP2D6 (0.34) AKR1C3AKR1C2PTGER4L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200407364-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS LTD (GB) 2020-12-31 US disclosed
US-20180346473-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS, LTD. (TW) 2018-12-06 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 (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-20180346473-A1 FUSED BICYCLIC COMPOUNDS BICRA, PAICS, NDC1 AKR1C3 2360/4885HTRA1 4564/4885ASIC1 4693/4885
US-20200407364-A1 FUSED BICYCLIC COMPOUNDS BICRA, PAICS, NDC1 AKR1C3 2360/4885HTRA1 4564/4885ASIC1 4693/4885

“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.