SCHEMBL19086029

SCHEMBL19086029

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 1/20 0.34
▸ FFAR4 Q5NUL3 6/20 0.33
▸ FASN P49327 1/20 0.33
▸ MDM2 Q00987 5/20 0.32
▸ TP53 P04637 4/20 0.32
▸ MME P08473 3/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ CHRM3 P20309 1/20 0.31
▸ ACE P12821 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL24381008 1.00 PAK1 (0.34) PAK1FFAR4FASNMDM2TP53
SCHEMBL24380864 0.94 PAK1 (0.34) PAK1FFAR4FASNMDM2TP53
SCHEMBL24380867 0.94 PAK1 (0.34) PAK1FFAR4FASNMDM2TP53
SCHEMBL24380919 0.92 PAK1 (0.34) PAK1FFAR4FASNMDM2TP53
SCHEMBL18595124 0.92 PAK1 (0.34) PAK1FFAR4FASNMDM2TP53
SCHEMBL16983677 0.92 PAK1 (0.36) PAK1FFAR4FASNMDM2TP53
SCHEMBL24380853 0.92 PAK1 (0.36) PAK1FFAR4FASNMDM2TP53
SCHEMBL24381004 0.91 FFAR4 (0.34) PAK1FFAR4FASNMDM2TP53
SCHEMBL24381007 0.91 FFAR4 (0.34) PAK1FFAR4FASNMDM2TP53
SCHEMBL19086027 0.89 PAK1 (0.33) PAK1FFAR4FASNMME

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 3166/4885FASN 3583/4885

“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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