SCHEMBL20575189

SCHEMBL20575189

COc1ccc(Cn2nc(CC(=O)OC(C)C)c(C(C)(C)C#N)c2C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 1/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPBWR1 P48145 1/20 0.34
KLK7 P49862 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33

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
SCHEMBL19711763 0.88 ALDH1A1 (0.42) AKR1C3PTGDR2
SCHEMBL19702818 0.88 PTGDR2 (0.40) PTGDR2SMN1; SMN2KLK7TDP1SLC16A3
SCHEMBL20575340 0.82 AKR1C3 (0.36) AKR1C3AKR1C2PTGDR2KLK7
SCHEMBL19702816 0.80 PTGDR2 (0.40) PTGDR2SMN1; SMN2KLK7TDP1SLC16A3
SCHEMBL17777911 0.77 NPBWR1 (0.38) AKR1C3AKR1C2NPBWR1
SCHEMBL17777763 0.76 ALDH1A1 (0.44) PTGDR2
SCHEMBL19659812 0.74 GAA (0.33) SMN1; SMN2
SCHEMBL19702820 0.73 PTGDR2 (0.41) PTGDR2SMN1; SMN2KLK7TDP1
SCHEMBL17777923 0.73 ASIC1 (0.40) SMN1; SMN2KLK7
SCHEMBL19659649 0.71 KLK7 (0.35) SMN1; SMN2KLK7TDP1

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 2360/4885AKR1C2 1759/4885PTGDR2 2695/4885
US-20200407364-A1 FUSED BICYCLIC COMPOUNDS BICRA, PAICS, NDC1 AKR1C3 2360/4885AKR1C2 1759/4885PTGDR2 2695/4885

“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.