SCHEMBL21572811

SCHEMBL21572811

C[C@H](CC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ LMNA P02545 2/20 0.58
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MME P08473 1/20 0.52
▸ BACE1 P56817 2/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ BACE2 Q9Y5Z0 1/20 0.49
▸ RORC P51449 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.48
▸ NPY1R P25929 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ SRC P12931 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL21572805 0.88 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AMEN1MME
SCHEMBL20583508 0.85 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1MME
SCHEMBL20583510 0.85 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1MME
SCHEMBL21572798 0.83 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AMEN1MME
SCHEMBL12302913 0.81 BACE1 (0.58) ALDH1A1LMNAKMT2AMEN1MME
SCHEMBL20583297 0.81 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMEN1MME
SCHEMBL20583295 0.81 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMEN1MME
SCHEMBL18970304 0.81 ABCC4 (0.55) ALDH1A1LMNAKMT2AMEN1MME
SCHEMBL18970284 0.81 ABCC4 (0.55) ALDH1A1LMNAKMT2AMEN1MME
SCHEMBL22295411 0.80 LMNA (0.53) ALDH1A1LMNAKMT2AMEN1MME

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 308/4885LMNA 1222/4885KMT2A 2323/4885
US-10479753-B2 Sacubitril intermediate and preparation method thereof ACE, DPP4, SI ALDH1A1 339/4885LMNA 2313/4885KMT2A 2412/4885

“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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