SCHEMBL19376934

SCHEMBL19376934

CC1(CO)CC(Cc2ccc(-c3cc(Cl)ccc3F)cc2)N(C(=O)O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 6/20 0.38
▸ FASN P49327 1/20 0.37
▸ MME P08473 4/20 0.36
▸ MMEL1 Q495T6 1/20 0.36
▸ ACE P12821 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ MDM2 Q00987 4/20 0.34
▸ TP53 P04637 3/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL19331579 0.89 MME (0.38) FFAR4FASNMMEMMEL1ACE
SCHEMBL19331576 0.87 FFAR4 (0.35) FFAR4FASNMMEMMEL1ACE
SCHEMBL19331594 0.87 FFAR4 (0.35) FFAR4FASNMMEACEMDM2
SCHEMBL19376942 0.87 FFAR4 (0.35) FFAR4FASNMMEACEMDM2
SCHEMBL19331563 0.84 FASN (0.35) FFAR4FASNMMEACEMDM2
SCHEMBL19331596 0.82 P2RX3 (0.35) FFAR4MMEMCHR1MDM2TP53
SCHEMBL19376969 0.79 PAK1 (0.35) FFAR4FASNMMEACEMCHR1
SCHEMBL20364010 0.79 PAK1 (0.35) FFAR4FASNMMEACEMCHR1
SCHEMBL16942417 0.79 PAK1 (0.35) FFAR4FASNMMEACEMCHR1
SCHEMBL25913641 0.78 FFAR4 (0.41) FFAR4FASNMMEMDM2TP53

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 10 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
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

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 119/4885FASN 2919/4885MME 1/4885
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 119/4885FASN 2919/4885MME 1/4885
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 98/4885FASN 2140/4885MME 1/4885
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 98/4885FASN 2140/4885MME 1/4885
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 119/4885FASN 2919/4885MME 1/4885
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 97/4885FASN 2086/4885MME 1/4885
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 116/4885FASN 2979/4885MME 1/4885
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 116/4885FASN 2979/4885MME 1/4885
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 119/4885FASN 2919/4885MME 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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