SCHEMBL28396393

SCHEMBL28396393

CCOC(=O)CC(=O)[C@H]1C[C@H]1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ MGAM O43451 1/20 0.52
▸ SI P14410 1/20 0.52
▸ MGAM2 Q2M2H8 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ ALOX15 P16050 1/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ TSHR P16473 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
SCHEMBL21818703 1.00 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21818702 1.00 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20743953 1.00 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31644348 0.81 ALDH1A1 (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28784389 0.81 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28728541 0.79 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20582211 0.76 EPHX2 (0.35) EPHX2KMT2AMEN1
SCHEMBL25144056 0.75 CA1 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8166437 0.75 — —
SCHEMBL7198390 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267824-B2 Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase IDORSIA PHARMACEUTICALS LTD (CH) 2022-03-08 — — US disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 — — CN disclosed
CN-110997682-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-04-10 — — CN 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 (1 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-11267824-B2 Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase IDO2, IDO1, TDO2 GAA 543/4885MGAM 379/4885SI 67/4885

“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.

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