SCHEMBL22188002

SCHEMBL22188002

CCCOC(=O)NCCC(=O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 14/20 0.46
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ EPHX2 P34913 2/20 0.41

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
SCHEMBL6290055 0.76 GAA (0.47) —
SCHEMBL13035367 0.75 HSD17B10 (0.31) —
SCHEMBL15551259 0.75 ACHE (0.63) ACHEEPHX2
SCHEMBL20048945 0.75 MEN1 (0.47) —
SCHEMBL15868092 0.74 ADRA1A (0.47) —
SCHEMBL16134192 0.74 FAAH (0.47) EPHX2
SCHEMBL27353599 0.74 ACHE (0.61) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20663435 0.73 EPHX2 (0.67) ACHEEPHX2
SCHEMBL5700191 0.73 ACHE (0.65) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7769333 0.73 ACHE (0.55) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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-20210061872-A1 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. 2021-03-04 — — US disclosed
US-20200207822-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES PROTAGONIST THERAPEUTICS, INC. 2020-07-02 — — 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-20210061872-A1 CONJUGATED HEPCIDIN MIMETICS HAMP, HDGF, FTH1 ACHE 4885/4885CHRNB2 4876/4885CHRNB4 4881/4885
US-20200207822-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES IL23R, IL1RN, VIP ACHE 4856/4885CHRNB2 4210/4885CHRNB4 4483/4885

“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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