SCHEMBL21572801

SCHEMBL21572801

C[C@@H](COCc1ccccc1)CC(=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PPARA Q07869 1/20 0.42
▸ MMP9 P14780 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MME P08473 1/20 0.40

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
SCHEMBL21572794 0.88 GAA (0.46) LMNATSHRGAAABCC4PTGS1
SCHEMBL21572795 0.85 GAA (0.49) LMNATSHRGAAABCC4PTGS1
SCHEMBL21572788 0.83 TSHR (0.47) LMNATSHRGAAABCC4PTGS1
SCHEMBL21572810 0.81 GAA (0.45) LMNATSHRGAAABCC4PTGS1
SCHEMBL21572803 0.81 GAA (0.45) LMNATSHRGAAABCC4PTGS1
SCHEMBL21572797 0.80 LMNA (0.53) LMNATSHRGAAABCC4PTGS1
SCHEMBL21572796 0.80 ALDH1A1 (0.47) LMNATSHRGAAABCC4PTGS1
SCHEMBL29629669 0.80 ALDH1A1 (0.47) LMNATSHRGAAABCC4PTGS1
SCHEMBL4433529 0.79 SLC1A1 (0.49) TSHRALDH1A1MMP9MMP14SLC1A1
SCHEMBL4433522 0.79 SLC1A1 (0.49) TSHRALDH1A1MMP9MMP14SLC1A1

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-11370739-B2 Sacubitril intermediate and preparation method thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-06-28 — — US 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 LMNA 1222/4885TSHR 3965/4885GAA 63/4885
US-10479753-B2 Sacubitril intermediate and preparation method thereof ACE, DPP4, SI LMNA 2313/4885TSHR 3906/4885GAA 63/4885

“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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