SCHEMBL21906949

SCHEMBL21906949

CCC(=O)CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCC(=O)NC(CSC1CC(=O)N(CCC(=O)NCCCCC2NC(=O)C(Cc3ccccc3)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)C1=O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.46
▸ ITGAV P06756 4/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ ALB P02768 1/20 0.44
▸ CXCR4 P61073 1/20 0.43
▸ OPRL1 P41146 7/20 0.43
▸ ITGB1 P05556 2/20 0.41
▸ ITGA5 P08648 2/20 0.41
▸ ITGB5 P18084 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ CD40 P25942 1/20 0.41
▸ CTSG P08311 2/20 0.41
▸ BECN1 Q14457 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.39
▸ BAD Q92934 1/20 0.39

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
SCHEMBL21907357 0.97 KEAP1 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL21186414 0.96 ITGB3 (0.47) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL19102256 0.96 ITGB3 (0.47) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL16508328 0.96 ITGB3 (0.47) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL24049285 0.95 KEAP1 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL16508333 0.95 KEAP1 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL19365027 0.95 KEAP1 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL21906961 0.95 ITGB3 (0.47) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL17955327 0.95 ITGB3 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL24049374 0.94 KEAP1 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB

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-11111254-B2 Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2021-09-07 — — US disclosed
US-20200115391-A1 NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS Clarity Pharmaceuticals Ltd (AU) 2020-04-16 — — 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-11111254-B2 Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals NCL, NUDC, C3AR1 ITGB3 516/4885ITGAV 814/4885KEAP1 1608/4885
US-20200115391-A1 NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS NCL, NUDC, C3AR1 ITGB3 516/4885ITGAV 814/4885KEAP1 1608/4885

“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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