SCHEMBL19407213

SCHEMBL19407213

CCOC[C@](C)(C[C@H](N)CCc1ccc(-c2cc(Cl)ccc2F)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 14/20 0.39
▸ ACE P12821 1/20 0.39
▸ KIF11 P52732 2/20 0.37
▸ PTGER1 P34995 1/20 0.36
▸ MASP2 O00187 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ FFAR1 O14842 1/20 0.35

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
SCHEMBL15472731 0.92 MME (0.41) MMEACE
SCHEMBL29813633 0.92 MME (0.41) MMEACE
SCHEMBL19788113 0.92 MME (0.41) MMEACE
Hydrochloric Acid SCHEMBL29813655 0.91 MME (0.41) MMEACE
SCHEMBL25913393 0.87 MME (0.40) MMEACE
SCHEMBL19407212 0.85 SYK (0.40) MMEACE
SCHEMBL22018890 0.85 SYK (0.40) MMEACE
SCHEMBL19687938 0.84 MME (0.41) MMEACE
SCHEMBL18922290 0.84 MME (0.41) MMEACE
SCHEMBL26378134 0.83 MME (0.41) MMEACEPTGER1FFAR1

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-20170275259-A1 CRYSTALLINE(2S,4R)-5-(5'-CHLORO-2'-FLUORO-[1,1'-BIPHENY]-4-YL)-2-(ETHOXYMETHYL)-4-(3-HYDROXYISOXAZOLE-5-CARBOXAMIDO)-2-METHYLPENTANOIC ACID AND USES THEREOF THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-09-28 — — 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-20170275259-A1 CRYSTALLINE(2S,4R)-5-(5'-CHLORO-2'-FLUORO-[1,1'-BIPHENY]-4-YL)-2-(ETHOXYMETHYL)-4-(3-HYDROXYISOXAZOLE-5-CARBOXAMIDO)-2-METHYLPENTANOIC ACID AND USES THEREOF MME, REN, CTSC MME 1/4885ACE 4/4885KIF11 3106/4885

“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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