SCHEMBL20575340

SCHEMBL20575340

COc1ccc(Cn2nc(CC(=O)OC(C)C)c(C(C)(C)CNC(=O)OC(C)(C)C)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 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
CACNA1H O95180 2/20 0.34
BRD4 O60885 1/20 0.34
KLK7 P49862 4/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PTGER4 P35408 1/20 0.33
HTRA1 Q92743 2/20 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
SCHEMBL19702820 0.90 PTGDR2 (0.41) PTGDR2CACNA1HKLK7ALDH1A1LMNA
SCHEMBL19702813 0.83 PTGDR2 (0.41) PTGDR2CACNA1HKLK7ALDH1A1LMNA
SCHEMBL20575189 0.82 AKR1C3 (0.36) AKR1C3AKR1C2PTGDR2KLK7
SCHEMBL20575342 0.80 AKR1C3 (0.33) AKR1C3AKR1C2BRD4PTGER4HTRA1
SCHEMBL17777764 0.79 PTGDR2 (0.42) PTGDR2CACNA1HALDH1A1
SCHEMBL19659813 0.77 KMT2A (0.33) KLK7ALDH1A1LMNAHTRA1
SCHEMBL17777908 0.76 ASIC1 (0.37) PTGDR2KLK7ALDH1A1LMNA
SCHEMBL19659387 0.75 CYP2D6 (0.34) AKR1C3AKR1C2PTGDR2ALDH1A1PTGER4
SCHEMBL19659642 0.74 KLK7 (0.34) KLK7ALDH1A1LMNAHTRA1
SCHEMBL17873326 0.74 AAK1 (0.38) PTGDR2ALDH1A1LMNA

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-20200407364-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS LTD (GB) 2020-12-31 US disclosed
EP-3630100-A1 FUSED BICYCLIC COMPOUNDS Akarna Therapeutics, Ltd. (GB) 2020-04-08 EP disclosed
US-20180346473-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS, LTD. (TW) 2018-12-06 US disclosed
WO-2018222876-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS, LTD. (GB) 2018-12-06 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-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.