SCHEMBL19086027

SCHEMBL19086027

CC(C)(C)OC(=O)N1C(=O)C(CO)(CCN=[N+]=[N-])C[C@H]1Cc1ccc(-c2cc(Cl)ccc2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 1/20 0.33
▸ FFAR4 Q5NUL3 5/20 0.31
▸ MME P08473 1/20 0.30
▸ FASN P49327 1/20 0.30

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
SCHEMBL16942444 0.93 PAK1 (0.33) PAK1
SCHEMBL24380867 0.90 PAK1 (0.34) PAK1FFAR4MMEFASN
SCHEMBL24380864 0.90 PAK1 (0.34) PAK1FFAR4MMEFASN
SCHEMBL19086029 0.89 PAK1 (0.34) PAK1FFAR4MMEFASN
SCHEMBL24381008 0.89 PAK1 (0.34) PAK1FFAR4MMEFASN
SCHEMBL24380853 0.87 PAK1 (0.36) PAK1FFAR4MMEFASN
SCHEMBL16983677 0.87 PAK1 (0.36) PAK1FFAR4MMEFASN
SCHEMBL19696026 0.86 FFAR4 (0.33) PAK1FFAR4
SCHEMBL24381004 0.85 FFAR4 (0.34) PAK1FFAR4MMEFASN
SCHEMBL24381007 0.85 FFAR4 (0.34) PAK1FFAR4MMEFASN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PAK1 2053/4885FFAR4 3166/4885MME 1/4885

“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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