SCHEMBL18595124

SCHEMBL18595124

CC(C)(C)OC(=O)OCC1(CCN)C[C@@H](Cc2ccc(-c3cc(Cl)ccc3F)cc2)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 1/20 0.34
▸ MDM2 Q00987 5/20 0.32
▸ MME P08473 4/20 0.32
▸ TP53 P04637 4/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ ACE P12821 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ FFAR4 Q5NUL3 5/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ FASN P49327 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
SCHEMBL24380919 1.00 PAK1 (0.34) PAK1MDM2MMETP53CHRM3
SCHEMBL16939717 0.94 PAK1 (0.34) PAK1MDM2MMETP53CHRM3
SCHEMBL16939713 0.94 PAK1 (0.35) PAK1MDM2MMETP53CHRM3
SCHEMBL24380786 0.94 PAK1 (0.35) PAK1MDM2MMETP53CHRM3
SCHEMBL16942438 0.92 PAK1 (0.36) PAK1MDM2MMETP53CHRM3
SCHEMBL24381008 0.92 PAK1 (0.34) PAK1MDM2MMETP53CHRM3
SCHEMBL19086029 0.92 PAK1 (0.34) PAK1MDM2MMETP53CHRM3
SCHEMBL16939715 0.92 PAK1 (0.33) PAK1MDM2MMETP53CHRM3
SCHEMBL16942444 0.90 PAK1 (0.33) PAK1
SCHEMBL16942424 0.90 MME (0.35) PAK1MMECHRM3ACEFASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193338-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 — — US disclosed
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
US-9585882-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-07 — — 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-20180193338-A1 NEPRILYSIN INHIBITORS MME, REN, ACE PAK1 2053/4885MDM2 2342/4885MME 1/4885
US-20170189399-A1 NEPRILYSIN INHIBITORS MME, REN, ACE PAK1 2053/4885MDM2 2342/4885MME 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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