SCHEMBL22314737

SCHEMBL22314737

CC(C)NC(CCCCNC(=O)OCCN=[N+]=[N-])C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 13/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRNB2 P17787 3/20 0.33
▸ CHRNB4 P30926 3/20 0.33
▸ CHRNA3 P32297 3/20 0.33
▸ CHRNA4 P43681 3/20 0.33

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
SCHEMBL23080162 0.86 ACHE (0.34) ACHEALDH1A1LMNACHRNB2CHRNB4
SCHEMBL21465896 0.84 — —
SCHEMBL22570807 0.83 ACHE (0.47) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22343075 0.82 ACHE (0.38) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20980231 0.81 ADRB2 (0.32) —
SCHEMBL26759938 0.81 GLP1R (0.38) —
SCHEMBL20113001 0.80 ACHE (0.41) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20980230 0.80 ALB (0.38) —
SCHEMBL22570776 0.80 ACHE (0.39) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22570793 0.80 ACHE (0.37) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11077195-B2 IL-2 conjugates and methods of use thereof Synthorx, Inc. (US) 2021-08-03 — — US disclosed
US-20210070827-A1 IL-2 CONJUGATES AND METHODS OF USE TO TREAT AUTOIMMUNE DISEASES Synthorx, Inc. (US) 2021-03-11 — — US disclosed
US-20210054040-A1 NOVEL IL-15 CONJUGATES AND USES THEREOF Synthorx, Inc. (US) 2021-02-25 — — US disclosed
US-20200330601-A1 IL-2 Conjugates and Methods of Use Thereof Synthorx, Inc. (US) 2020-10-22 — — US disclosed
US-20200246467-A1 IL-2 CONJUGATES AND METHODS OF USE THEREOF SYNTHORX INC (US) 2020-08-06 — — 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 (5 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-20210054040-A1 NOVEL IL-15 CONJUGATES AND USES THEREOF IL15, IL15RA, IL5 ACHE 4404/4885ALDH1A1 329/4885LMNA 4040/4885
US-11077195-B2 IL-2 conjugates and methods of use thereof IL2, IL2RA, IL15 ACHE 4230/4885ALDH1A1 476/4885LMNA 3491/4885
US-20210070827-A1 IL-2 CONJUGATES AND METHODS OF USE TO TREAT AUTOIMMUNE DISEASES IL2, IL2RA, IL15 ACHE 4348/4885ALDH1A1 608/4885LMNA 3358/4885
US-20200246467-A1 IL-2 CONJUGATES AND METHODS OF USE THEREOF IL2, IL2RA, IL15 ACHE 4230/4885ALDH1A1 476/4885LMNA 3491/4885
US-20200330601-A1 IL-2 Conjugates and Methods of Use Thereof IL2, IL2RA, IL15 ACHE 4230/4885ALDH1A1 476/4885LMNA 3491/4885

“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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