SCHEMBL19086062

SCHEMBL19086062

CNC(=O)[C@]1(C)C[C@@H](Cc2ccc(-c3cc(Cl)ccc3F)cc2)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.33
▸ FFAR4 Q5NUL3 5/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ FASN P49327 1/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ CHRM3 P20309 1/20 0.32

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
SCHEMBL16942396 0.91 PAK1 (0.34) MMEFFAR4ALDH1A1ACEUSP30
SCHEMBL19355013 0.90 FFAR4 (0.35) MMEFFAR4ACEFASNPAK1
SCHEMBL19376942 0.87 FFAR4 (0.35) MMEFFAR4ALDH1A1ACEUSP30
SCHEMBL19331594 0.87 FFAR4 (0.35) MMEFFAR4ALDH1A1ACEUSP30
SCHEMBL20364010 0.84 PAK1 (0.35) MMEFFAR4ACEFASNPAK1
SCHEMBL29813676 0.84 PAK1 (0.35) MMEFFAR4ACEFASNPAK1
SCHEMBL16942417 0.84 PAK1 (0.35) MMEFFAR4ACEFASNPAK1
SCHEMBL19376969 0.84 PAK1 (0.35) MMEFFAR4ACEFASNPAK1
SCHEMBL24380853 0.84 PAK1 (0.36) MMEFFAR4ALDH1A1ACEUSP30
SCHEMBL16983677 0.84 PAK1 (0.36) MMEFFAR4ALDH1A1ACEUSP30

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-9839639-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-12 — — US disclosed
US-20170189399-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-07-06 — — 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 (1 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-20170189399-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885FFAR4 3166/4885ALDH1A1 2655/4885

“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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