SCHEMBL3229583

SCHEMBL3229583

CCCCCC(CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.49
CTSS P25774 2/20 0.49
MMP2 P08253 5/20 0.44
MMP3 P08254 5/20 0.44
MMP1 P03956 3/20 0.44
MMP7 P09237 1/20 0.44
GPR84 Q9NQS5 4/20 0.44

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
SCHEMBL3213512 1.00 CTSK (0.49) CTSKCTSSMMP2MMP3MMP1
SCHEMBL28465534 0.98 CTSK (0.48) CTSKCTSSMMP2MMP3MMP1
SCHEMBL4935587 0.98 CTSK (0.48) CTSKCTSSMMP2MMP3MMP1
SCHEMBL28132863 0.98 CTSK (0.48) CTSKCTSSMMP2MMP3MMP1
SCHEMBL9062184 0.89 CTSK (0.51) CTSKCTSS
SCHEMBL1853923 0.89 CTSK (0.51) CTSKCTSS
SCHEMBL4936593 0.89 CTSK (0.51) CTSKCTSS
SCHEMBL31121749 0.89 CTSK (0.54) CTSKCTSS
SCHEMBL31121751 0.89 CTSK (0.54) CTSKCTSS
SCHEMBL22661716 0.87 CTSK (0.52) CTSKCTSS

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-8383547-B2 Aflatoxin production inhibitor and method for controlling aflatoxin contamination using the same MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2013-02-26 US disclosed
US-20120190746-A1 AFLATOXIN PRODUCTION INHIBITOR AND METHOD FOR CONTROLLING AFLATOXIN CONTAMINATION USING THE SAME THE UNIVERSITY OF TOKYO (JP) 2012-07-26 US disclosed
US-20100063150-A1 Aflatoxin Production Inhibitor and Method for Controlling Aflatoxin Contamination Using the Same THE UNIVERSITY OF TOKYO (JP) 2010-03-11 US disclosed
US-20080312080-A1 Novel dioctatin derivatives and production process thereof MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2008-12-18 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-20120190746-A1 AFLATOXIN PRODUCTION INHIBITOR AND METHOD FOR CONTROLLING AFLATOXIN CONTAMINATION USING THE SAME AKR7A2, CYP51A1, DIMT1 CTSK 3256/4885CTSS 3705/4885MMP2 305/4885
US-20080312080-A1 Novel dioctatin derivatives and production process thereof AKR7A2, HDHD5, DECR1 CTSK 4665/4885CTSS 4683/4885MMP2 1239/4885
US-20100063150-A1 Aflatoxin Production Inhibitor and Method for Controlling Aflatoxin Contamination Using the Same AKR7A2, DIMT1, CYP51A1 CTSK 4036/4885CTSS 4135/4885MMP2 219/4885

“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.