SCHEMBL22019229

SCHEMBL22019229

C=COC[C@]1(C)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 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 12/20 0.34
▸ TP53 P04637 10/20 0.34
▸ MME P08473 2/20 0.32
▸ ACE P12821 1/20 0.32
▸ FFAR4 Q5NUL3 4/20 0.31
▸ CHRM3 P20309 2/20 0.30

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
SCHEMBL29813546 0.84 MDM2 (0.32) MDM2TP53MMEACEFFAR4
SCHEMBL20597918 0.84 MDM2 (0.32) MDM2TP53MMEACEFFAR4
SCHEMBL19376972 0.84 MDM2 (0.32) MDM2TP53MMEACEFFAR4
SCHEMBL19355012 0.84 MDM2 (0.32) MDM2TP53MMEACEFFAR4
SCHEMBL19331576 0.82 FFAR4 (0.35) MDM2TP53MMEACEFFAR4
SCHEMBL19331562 0.75 FFAR4 (0.33) MDM2TP53MMEACEFFAR4
SCHEMBL19376942 0.73 FFAR4 (0.35) MDM2TP53MMEACEFFAR4
SCHEMBL19331594 0.73 FFAR4 (0.35) MDM2TP53MMEACEFFAR4
SCHEMBL19376969 0.73 PAK1 (0.35) MDM2TP53MMEACEFFAR4
SCHEMBL29813676 0.73 PAK1 (0.35) MDM2TP53MMEACEFFAR4

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-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

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-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 MDM2 2102/4885TP53 3917/4885MME 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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