SCHEMBL21572788

SCHEMBL21572788

CC(C)OC[C@H](C)CC(=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDCD1 Q15116 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ MMP12 P39900 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ FAAH O00519 1/20 0.41

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
SCHEMBL21572795 0.87 GAA (0.49) TSHRGAAABCC4LMNAPTGS1
SCHEMBL21572794 0.84 GAA (0.46) TSHRGAAABCC4LMNAPTGS1
SCHEMBL21572803 0.83 GAA (0.45) TSHRGAAABCC4LMNAPTGS1
SCHEMBL21572801 0.83 LMNA (0.45) TSHRGAAABCC4LMNAPTGS1
SCHEMBL21572810 0.83 GAA (0.45) TSHRGAAABCC4LMNAPTGS1
SCHEMBL21572797 0.82 LMNA (0.53) TSHRGAAABCC4LMNAPTGS1
SCHEMBL20583244 0.81 GAA (0.43) TSHRGAAABCC4LMNAPTGS1
SCHEMBL20583639 0.81 GAA (0.43) TSHRGAAABCC4LMNAPTGS1
SCHEMBL20583638 0.81 GAA (0.43) TSHRGAAABCC4LMNAPTGS1
SCHEMBL20583245 0.81 GAA (0.43) TSHRGAAABCC4LMNAPTGS1

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-11370739-B2 Sacubitril intermediate and preparation method thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-06-28 — — US disclosed
EP-3424899-B1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2022-05-11 — — EP disclosed
US-10479753-B2 Sacubitril intermediate and preparation method thereof SUNSHINE LAKE PHARMA CO., LTD (CN) 2019-11-19 — — 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-11370739-B2 Sacubitril intermediate and preparation method thereof DPP4, ACE, DPP8 TSHR 3965/4885GAA 63/4885ABCC4 3539/4885
US-10479753-B2 Sacubitril intermediate and preparation method thereof ACE, DPP4, SI TSHR 3906/4885GAA 63/4885ABCC4 3613/4885

“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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