SCHEMBL22367298

SCHEMBL22367298

Cc1cc(O[C@@H](CCN(C)C(=O)OC(C)(C)C)c2cccs2)ccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.39
▸ CACNA2D1 P54289 8/20 0.36
▸ SLC7A5 Q01650 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ SLC6A9 P48067 5/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ GPR88 Q9GZN0 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
SCHEMBL22367300 1.00 GBA1 (0.39) GBA1CACNA2D1SLC7A5PDK2SLC6A9
SCHEMBL29967255 0.92 CACNA2D1 (0.38) GBA1CACNA2D1SLC7A5PDK2SLC6A2
SCHEMBL28611276 0.85 SLC6A9 (0.46) SLC6A9
SCHEMBL28611274 0.85 SLC6A9 (0.46) SLC6A9
SCHEMBL19564629 0.84 GBA1 (0.39) GBA1CACNA2D1SLC6A2
SCHEMBL22367406 0.84 CACNA2D1 (0.36) CACNA2D1SLC7A5SLC6A9SLC6A2
SCHEMBL22367407 0.84 CACNA2D1 (0.36) CACNA2D1SLC7A5SLC6A9SLC6A2
SCHEMBL21102742 0.83 GBA1 (0.42) GBA1CACNA2D1SLC6A2
SCHEMBL19564630 0.82 GBA1 (0.40) GBA1CACNA2D1SLC6A2
SCHEMBL20309012 0.77 GBA1 (0.45) GBA1PDK2GPR88

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
EP-3700890-B1 ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS SA (ES) 2021-11-17 — — EP disclosed
US-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-24 — — US disclosed
EP-3700890-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-02 — — EP 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-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNB2, CACNA1G GBA1 1648/4885CACNA2D1 10/4885SLC7A5 400/4885

“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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