SCHEMBL21350795

SCHEMBL21350795

C[C@@](C=O)(C[C@H](N)Cc1ccc(-c2ccccc2F)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.52
▸ PPARG P37231 2/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DPP4 P27487 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.39
▸ GPR88 Q9GZN0 1/20 0.39
▸ SDCBP O00560 1/20 0.39
▸ SDC2 P34741 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GRIA4 P48058 1/20 0.37
▸ ACE P12821 2/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ CPA1 P15085 1/20 0.36

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
SCHEMBL19687913 0.84 MME (0.68) MMEPPARGPPARAALDH1A1MAPT
SCHEMBL15466745 0.84 MME (0.68) MMEPPARGPPARAALDH1A1MAPT
SCHEMBL19688037 0.82 MME (0.57) MMEPPARGPPARAALDH1A1MAPT
SCHEMBL18922283 0.82 MME (0.57) MMEPPARGPPARAALDH1A1MAPT
SCHEMBL11993548 0.73 MME (0.57) MMEPPARGPPARAGPR88ACE
SCHEMBL16816543 0.73 SLC7A5 (0.62) MMEPPARGPPARAALDH1A1MAPT
SCHEMBL2005486 0.73 SLC7A5 (0.62) MMEPPARGPPARAALDH1A1MAPT
Hydrochloric Acid SCHEMBL16816594 0.72 SLC7A5 (0.60) MMEPPARGPPARAALDH1A1MAPT
Hydrochloric Acid SCHEMBL16816593 0.72 SLC7A5 (0.60) MMEPPARGPPARAALDH1A1MAPT
SCHEMBL12735244 0.71 PPARG (0.48) MMEPPARGPPARAALDH1A1MAPT

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-10570120-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-02-25 — — US disclosed
US-20190276442-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-09-12 — — 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-20190276442-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885PPARG 4587/4885PPARA 4773/4885
US-10570120-B2 Neprilysin inhibitors MME, REN, ACE MME 1/4885PPARG 4587/4885PPARA 4773/4885

“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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