SCHEMBL21629618

SCHEMBL21629618

[2H]C([2H])([2H])C(c1cc(Br)ccc1OC(=O)OC)(C([2H])([2H])[2H])C([2H])([2H])[2H]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.39
ALPL P05186 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
JAK2 O60674 1/20 0.38
GAA P10253 1/20 0.38
NCEH1 Q6PIU2 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 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
SCHEMBL399302 0.89 PTGDR2 (0.57) PTGDR2KDM4EHSD17B10HPGDUSP2
SCHEMBL22408775 0.82 APEX1 (0.42) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL3982874 0.81 PTGDR2 (0.62) PTGDR2KDM4EUSP2ALPLALOX15
SCHEMBL29637887 0.78 KDM4E (0.51) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL23388820 0.76 ALDH1A1 (0.50) KDM4EHSD17B10HPGDALOX15ALDH1A1
SCHEMBL29750502 0.76 ALDH1A1 (0.50) KDM4EHSD17B10HPGDALOX15ALDH1A1
SCHEMBL26667049 0.74 HPGD (0.48) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL2569698 0.74 ALDH1A1 (0.48) KDM4EHSD17B10HPGDALOX15ALDH1A1
SCHEMBL15504737 0.74 KDM4E (0.35) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL16217687 0.73 PTGDR2 (0.57) PTGDR2USP2ALPLALOX15ALDH1A1

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-10759721-B2 Deuterated CFTR potentiators VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2020-09-01 US disclosed
US-20200031776-A1 DEUTERATED CFTR POTENTIATORS CONCERT PHARMACEUTICALS, INC. 2020-01-30 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-20200031776-A1 DEUTERATED CFTR POTENTIATORS CFTR, SLC26A3, SLC26A4 PTGDR2 497/4885KDM4E 4813/4885HSD17B10 1798/4885
US-10759721-B2 Deuterated CFTR potentiators CFTR, SLC26A3, SLC26A4 PTGDR2 497/4885KDM4E 4813/4885HSD17B10 1798/4885

“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.