Actinonin

Actinonin

SCHEMBL279122

CCCCC[C@@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 5/20 0.56
MMP3 P08254 12/20 0.46
MMP1 P03956 9/20 0.46
MMP2 P08253 8/20 0.46
MMP7 P09237 3/20 0.46
MMP9 P14780 3/20 0.46
MMP14 P50281 1/20 0.42
PDF Q9HBH1 1/20 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
Actinonin SCHEMBL279450 1.00 BIRC2 (0.56) BIRC2MMP3MMP1MMP2MMP7
Actinonin SCHEMBL14490676 1.00 BIRC2 (0.56) BIRC2MMP3MMP1MMP2MMP7
Actinonin SCHEMBL123273 1.00 BIRC2 (0.56) BIRC2MMP3MMP1MMP2MMP7
Actinonin SCHEMBL12601775 1.00 BIRC2 (0.56) BIRC2MMP3MMP1MMP2MMP7
SCHEMBL6294118 0.97 BIRC2 (0.55) BIRC2MMP3MMP1MMP2MMP7
SCHEMBL18328823 0.92 MMP3 (0.49) BIRC2MMP3MMP1MMP2MMP7
SCHEMBL21387112 0.92 BIRC2 (0.47) BIRC2MMP3MMP1MMP2MMP7
SCHEMBL14279424 0.90 BIRC2 (0.55) BIRC2MMP3MMP1MMP2MMP7
SCHEMBL6294172 0.87 BIRC2 (0.58) BIRC2MMP3MMP1MMP2MMP7
SCHEMBL9495973 0.87 BIRC2 (0.44) BIRC2MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133514-B2 Carbon-substituted diketopiperazine delivery systems MANNKIND CORPORATION (US) 2012-03-13 US disclosed
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 US disclosed
US-20090238882-A1 Carbon-substituted diketopiperazine delivery systems MANNKIND CORPORATION (US) 2009-09-24 US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 US disclosed
US-7417022-B2 Compounds and compositions for delivering active agents MHR INSTITUTIONAL PARTNERS IIA LP (US) 2008-08-26 US disclosed
US-20080008764-A1 CARBON-SUBSTITUTED DIKETOPIPERAZINE DELIVERY SYSTEMS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-10 US disclosed
US-7276534-B2 Di-C-substituted diketopiperazines, e.g., the diketopiperazine of lysine, are carriers that facilitate the delivery, especially orally, of a wide variety of drugs EMISPHERE TECHNOLOGIES, INC. (US) 2007-10-02 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 (3 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-20080008764-A1 CARBON-SUBSTITUTED DIKETOPIPERAZINE DELIVERY SYSTEMS PAICS, CRH, DHPS BIRC2 186/4885MMP3 1593/4885MMP1 1024/4885
US-20090238882-A1 Carbon-substituted diketopiperazine delivery systems PAICS, CRH, DHPS BIRC2 186/4885MMP3 1593/4885MMP1 1024/4885
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB4, ABCB7, ALPP BIRC2 704/4885MMP3 466/4885MMP1 437/4885

“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.