SCHEMBL4935587

SCHEMBL4935587

CCCCCCC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.48
CTSS P25774 2/20 0.48
GPR84 Q9NQS5 4/20 0.46
MMP2 P08253 5/20 0.46
MMP3 P08254 5/20 0.46
MMP1 P03956 3/20 0.46
MMP7 P09237 1/20 0.46

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
SCHEMBL28132863 1.00 CTSK (0.48) CTSKCTSSGPR84MMP2MMP3
SCHEMBL28465534 1.00 CTSK (0.48) CTSKCTSSGPR84MMP2MMP3
SCHEMBL3213512 0.98 CTSK (0.49) CTSKCTSSGPR84MMP2MMP3
SCHEMBL3229583 0.98 CTSK (0.49) CTSKCTSSGPR84MMP2MMP3
SCHEMBL22661716 0.89 CTSK (0.52) CTSKCTSS
SCHEMBL29789535 0.88 CTSK (0.47) CTSKCTSS
SCHEMBL18993567 0.88 CTSK (0.55) CTSKCTSS
SCHEMBL1853923 0.88 CTSK (0.51) CTSKCTSS
SCHEMBL4936593 0.88 CTSK (0.51) CTSKCTSS
SCHEMBL9062184 0.88 CTSK (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20080312080-A1 Novel dioctatin derivatives and production process thereof AKR7A2, HDHD5, DECR1 CTSK 4665/4885CTSS 4683/4885GPR84 2834/4885

“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.