SCHEMBL21799183

SCHEMBL21799183

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.39
MME P08473 5/20 0.38
ACE P12821 5/20 0.38
ACE2 Q9BYF1 2/20 0.38
CPA1 P15085 1/20 0.38
SRR Q9GZT4 1/20 0.37
PSAT1 Q9Y617 1/20 0.37

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
SCHEMBL20583260 0.84 GAA (0.42) GAATSHRABCC4LMNAPTGS1
SCHEMBL20583417 0.81 TSHR (0.43) GAATSHRABCC4LMNAPTGS1
SCHEMBL24404136 0.81 TSHR (0.43) GAATSHRABCC4LMNAPTGS1
SCHEMBL20583632 0.80 GAA (0.43) GAATSHRABCC4LMNAPTGS1
SCHEMBL24404144 0.77 ALDH1A1 (0.49) GAATSHRABCC4LMNAPTGS1
SCHEMBL20583689 0.77 ALDH1A1 (0.49) GAATSHRABCC4LMNAPTGS1
SCHEMBL24404141 0.77 ALDH1A1 (0.44) GAATSHRABCC4LMNAPTGS1
SCHEMBL20583296 0.77 ALDH1A1 (0.44) GAATSHRABCC4LMNAPTGS1
SCHEMBL20583668 0.76 GAA (0.41) GAATSHRABCC4LMNAPTGS1
SCHEMBL20583500 0.76 ALDH1A1 (0.48) GAATSHRABCC4LMNAPTGS1

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-20200079721-A1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF NORTH & SOUTH BROTHER PHARMACY INVESTMENT COMPANY LIMITED (HK) 2020-03-12 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-20200079721-A1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF DPP4, ACE, DPP8 GAA 63/4885TSHR 3965/4885ABCC4 3539/4885
US-11370739-B2 Sacubitril intermediate and preparation method thereof DPP4, ACE, DPP8 GAA 63/4885TSHR 3965/4885ABCC4 3539/4885

“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.