SCHEMBL29967255

SCHEMBL29967255

COC(=O)c1ccc(O[C@@H](CCN(C)C(=O)OC(C)(C)C)c2cccs2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 11/20 0.38
▸ GBA1 P04062 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC6A2 P23975 3/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ DNMT1 P26358 1/20 0.34
▸ PDK2 Q15119 1/20 0.34

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 0.92 GBA1 (0.39) CACNA2D1GBA1SLC7A5SLC6A2PDK2
SCHEMBL22367298 0.92 GBA1 (0.39) CACNA2D1GBA1SLC7A5SLC6A2PDK2
SCHEMBL29967199 0.84 CACNA2D1 (0.37) CACNA2D1KDM4ELMNAMEN1NPC1
SCHEMBL19564629 0.84 GBA1 (0.39) CACNA2D1GBA1SLC6A2
SCHEMBL19564630 0.81 GBA1 (0.40) CACNA2D1GBA1SLC6A2
SCHEMBL21102742 0.77 GBA1 (0.42) CACNA2D1GBA1KDM4ELMNAHTT
SCHEMBL28611276 0.77 SLC6A9 (0.46) —
SCHEMBL28611274 0.77 SLC6A9 (0.46) —
SCHEMBL29967173 0.76 GBA1 (0.45) GBA1KDM4ELMNANPC1ALDH1A1
SCHEMBL20309012 0.76 GBA1 (0.45) GBA1KDM4ELMNANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2022-08-02 — — 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 (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-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions CACNA1B, CACNA1G, CACNA2D2 CACNA2D1 9/4885GBA1 1769/4885SLC7A5 423/4885

“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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