SCHEMBL25913641

SCHEMBL25913641

CC(C)(C)OC(=O)N1C(=O)[C@](C)(CO)C[C@H]1CCc1ccc(-c2cc(Cl)ccc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 12/20 0.41
▸ FASN P49327 1/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ MME P08473 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
SCHEMBL19407282 0.92 FFAR4 (0.39) FFAR4PAK1RORCTP53MDM2
SCHEMBL19376942 0.91 FFAR4 (0.35) FFAR4FASNPAK1RORCTP53
SCHEMBL19331594 0.91 FFAR4 (0.35) FFAR4FASNPAK1RORCTP53
SCHEMBL24428604 0.87 FFAR4 (0.36) FFAR4
SCHEMBL19086063 0.84 FFAR4 (0.36) FFAR4PAK1MME
SCHEMBL16942417 0.83 PAK1 (0.35) FFAR4FASNPAK1RORCTP53
SCHEMBL20364010 0.83 PAK1 (0.35) FFAR4FASNPAK1RORCTP53
SCHEMBL29813676 0.83 PAK1 (0.35) FFAR4FASNPAK1RORCTP53
SCHEMBL19376969 0.83 PAK1 (0.35) FFAR4FASNPAK1RORCTP53
SCHEMBL20364026 0.83 FFAR4 (0.36) FFAR4PAK1MME

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-11718591-B2 Crystalline (2S,4R)-5-(5′-chloro-2′-fluoro-[1,1′-biphenyl]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2- methylpentanoic acid and uses thereof THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-08 — — 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-11718591-B2 Crystalline (2S,4R)-5-(5′-chloro-2′-fluoro-[1,1′-biphenyl]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2- methylpentanoic acid and uses thereof MME, CTSC, REN FFAR4 119/4885FASN 2919/4885PAK1 2902/4885

“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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