SCHEMBL19331576

SCHEMBL19331576

C=COCC1(C)CC(Cc2ccc(-c3cc(Cl)ccc3F)cc2)N(C(=O)O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 8/20 0.35
▸ MME P08473 6/20 0.34
▸ ACE P12821 1/20 0.34
▸ FASN P49327 1/20 0.33
▸ MMEL1 Q495T6 1/20 0.33
▸ CHRM3 P20309 2/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MDM2 Q00987 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
SCHEMBL19355012 0.90 MDM2 (0.32) FFAR4MMEACEFASNCHRM3
SCHEMBL19376972 0.90 MDM2 (0.32) FFAR4MMEACEFASNCHRM3
SCHEMBL20597918 0.90 MDM2 (0.32) FFAR4MMEACEFASNCHRM3
SCHEMBL19331579 0.88 MME (0.38) FFAR4MMEACEFASNMMEL1
SCHEMBL19376934 0.87 FFAR4 (0.38) FFAR4MMEACEFASNMMEL1
SCHEMBL22019229 0.82 MDM2 (0.34) FFAR4MMEACECHRM3TP53
SCHEMBL19331596 0.81 P2RX3 (0.35) FFAR4MMEMCHR1TP53MDM2
SCHEMBL19331562 0.79 FFAR4 (0.33) FFAR4MMEACEFASNTP53
SCHEMBL19331594 0.79 FFAR4 (0.35) FFAR4MMEACEFASNTP53
SCHEMBL19376942 0.79 FFAR4 (0.35) FFAR4MMEACEFASNTP53

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 12 patents. 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
US-11230536-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) 2022-01-25 — — US disclosed
EP-3408260-B1 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) 2021-05-05 — — EP disclosed
US-20210061776-A1 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) 2021-03-04 — — US disclosed
US-10752599-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) 2020-08-25 — — US disclosed
US-20200157061-A1 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) 2020-05-21 — — US disclosed
US-10472335-B2 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) 2019-11-12 — — US disclosed
US-20190002416-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) 2019-01-03 — — US disclosed
EP-3408260-A1 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) 2018-12-05 — — EP disclosed
US-10100021-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) 2018-10-16 — — US disclosed
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
WO-2017156009-A1 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) 2017-09-14 — — WO 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 (9 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-11230536-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 119/4885MME 1/4885ACE 4/4885
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 119/4885MME 1/4885ACE 4/4885
US-20190002416-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 FFAR4 98/4885MME 1/4885ACE 4/4885
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 FFAR4 98/4885MME 1/4885ACE 4/4885
US-10752599-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 119/4885MME 1/4885ACE 4/4885
US-10472335-B2 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, CTSC, REN FFAR4 97/4885MME 1/4885ACE 4/4885
US-20200157061-A1 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 116/4885MME 1/4885ACE 4/4885
US-20210061776-A1 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 116/4885MME 1/4885ACE 4/4885
US-10100021-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 119/4885MME 1/4885ACE 4/4885

“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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