SCHEMBL21572798

SCHEMBL21572798

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 4/20 0.48
▸ GAA P10253 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ACE P12821 5/20 0.47
▸ MME P08473 5/20 0.47
▸ CPA1 P15085 3/20 0.47
▸ ACE2 Q9BYF1 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ ALOX12 P18054 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL20583508 0.87 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL20583510 0.87 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL21572805 0.84 ALDH1A1 (0.48) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL21572811 0.83 ALDH1A1 (0.58) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL20583295 0.83 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL20583297 0.83 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL18970284 0.83 ABCC4 (0.55) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL18970304 0.83 ABCC4 (0.55) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL22295411 0.82 LMNA (0.53) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL20583484 0.81 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKMT2AGAA

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 ALDH1A1 308/4885HPGD 1169/4885MAPT 1710/4885
US-10479753-B2 Sacubitril intermediate and preparation method thereof ACE, DPP4, SI ALDH1A1 339/4885HPGD 1551/4885MAPT 1322/4885

“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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