SCHEMBL21572796

SCHEMBL21572796

C[C@H](CC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ ENPP2 Q13822 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NAAA Q02083 2/20 0.44
▸ MME P08473 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL29629669 1.00 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1GAAENPP2
SCHEMBL21249535 0.87 GAA (0.47) ALDH1A1L3MBTL1GAALMNAABCC4
SCHEMBL21572799 0.87 GAA (0.47) ALDH1A1L3MBTL1GAALMNAABCC4
SCHEMBL20583484 0.86 ALDH1A1 (0.50) ALDH1A1GAALMNAABCC4TSHR
SCHEMBL20583485 0.86 ALDH1A1 (0.50) ALDH1A1GAALMNAABCC4TSHR
SCHEMBL20583575 0.84 TSHR (0.50) ALDH1A1GAALMNAABCC4TSHR
SCHEMBL20583574 0.84 TSHR (0.50) ALDH1A1GAALMNAABCC4TSHR
SCHEMBL21572785 0.82 GAA (0.45) ALDH1A1GAALMNAABCC4TSHR
SCHEMBL18970284 0.82 ABCC4 (0.55) ALDH1A1GAALMNAABCC4TSHR
SCHEMBL18970304 0.82 ABCC4 (0.55) ALDH1A1GAALMNAABCC4TSHR

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 5 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-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
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 ALDH1A1 308/4885MAPK1 2680/4885L3MBTL1 3133/4885
US-10479753-B2 Sacubitril intermediate and preparation method thereof ACE, DPP4, SI ALDH1A1 339/4885MAPK1 2521/4885L3MBTL1 2952/4885

“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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