SCHEMBL25944453

SCHEMBL25944453

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 2/20 0.33
▸ OTC P00480 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ GNAI3 P08754 1/20 0.32
▸ GNAO1 P09471 1/20 0.32
▸ GNAI1 P63096 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL25944862 0.80 ALB (0.36) ALB
SCHEMBL26225750 0.80 ALB (0.37) ALB
SCHEMBL26225768 0.80 ALB (0.33) ALBTSHR
SCHEMBL24629997 0.78 CASP2 (0.49) —
SCHEMBL26759938 0.78 GLP1R (0.38) ALBTSHR
SCHEMBL15076070 0.77 SLC6A5 (0.40) TSHRALDH1A1
SCHEMBL29328700 0.76 TSHR (0.35) TSHR
SCHEMBL24920307 0.76 TSHR (0.35) TSHR
SCHEMBL25360834 0.76 NOS3 (0.40) OTCNOD1ALDH1A1
SCHEMBL25360824 0.76 NOS3 (0.40) OTCNOD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331801-A1 IL-2R-BETA-GAMMA BINDING COMPOUNDS MEDIKINE, INC. (US) 2023-10-19 — — US disclosed
US-20230331801-A1 IL-2R-BETA-GAMMA BINDING COMPOUNDS MEDIKINE, INC. (US) 2023-10-19 — — US disclosed
US-11718654-B2 IL-2R-βγ binding compounds MEDIKINE, INC. (US) 2023-08-08 — — US disclosed
US-11718654-B2 IL-2R-βγ binding compounds MEDIKINE, INC. (US) 2023-08-08 — — 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-20230331801-A1 IL-2R-BETA-GAMMA BINDING COMPOUNDS IL2RA, IL2, IL15RA ALB 1363/4885OTC 4616/4885DPP7 2427/4885
US-11718654-B2 IL-2R-βγ binding compounds IL2RA, IL2, IL1RN ALB 2282/4885OTC 4773/4885DPP7 2337/4885

“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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