SCHEMBL20293628

SCHEMBL20293628

CN(C)C(=O)[C@H]1CC[C@H](NC(=O)O)[C@H](N)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ FASN P49327 3/20 0.32
▸ PDE7A Q13946 2/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ GLI1 P08151 1/20 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
SCHEMBL20293481 1.00 MME (0.34) MMEMMP2MMP9CA12CA1
SCHEMBL27903631 0.89 MME (0.33) MMEMMP2MMP9CA12CA1
SCHEMBL1503908 0.89 MME (0.33) MMEMMP2MMP9CA12CA1
Benzoic Acid SCHEMBL20293503 0.87 FASN (0.38) FASN
Citric Acid SCHEMBL20293589 0.86 ALDH1A1 (0.36) MME
Oxalic Acid SCHEMBL4114848 0.86 MME (0.32) MMEFASNPDE7ADPP4
Oxalic Acid SCHEMBL14908944 0.84 DPP4 (0.32) MMEFASNPDE7ADPP4
SCHEMBL20328944 0.83 MME (0.31) MME
Sulfuric Acid SCHEMBL17472893 0.83 MME (0.31) MMEFASN
SCHEMBL20293667 0.83 TSHR (0.42) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301322-B2 Processes for the preparation of edoxaban and intermediates thereof APOTEX INC. (CA) 2019-05-28 — — US disclosed
US-20180179226-A1 Processes for the Preparation of Edoxaban and Intermediates Thereof THE BANK OF NOVA SCOTIA (CA) 2018-06-28 — — 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 (2 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-10301322-B2 Processes for the preparation of edoxaban and intermediates thereof VKORC1, CYP2C9, VKORC1L1 MME 2026/4885MMP2 964/4885MMP9 261/4885
US-20180179226-A1 Processes for the Preparation of Edoxaban and Intermediates Thereof VKORC1, CYP2C9, VKORC1L1 MME 2026/4885MMP2 964/4885MMP9 261/4885

“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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