SCHEMBL3798655

SCHEMBL3798655

CC(C)CC(CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCNC(=O)OC(c1ccccc1)C(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.74
MMP2 P08253 7/20 0.74
MMP8 P22894 7/20 0.74
MMP7 P09237 1/20 0.63
MMP9 P14780 5/20 0.62

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
SCHEMBL6016085 0.85 MMP8 (0.80) MMP1MMP2MMP8MMP7MMP9
SCHEMBL6013895 0.85 MMP8 (0.80) MMP1MMP2MMP8MMP7MMP9
SCHEMBL3794318 0.85 MMP8 (0.80) MMP1MMP2MMP8MMP7MMP9
SCHEMBL8396457 0.84 MMP1 (0.85) MMP1MMP2MMP8MMP7MMP9
SCHEMBL7457278 0.80 MMP1 (0.78) MMP1MMP2MMP8MMP7MMP9
SCHEMBL6575485 0.80 MMP1 (0.82) MMP1MMP2MMP8MMP7MMP9
SCHEMBL3798651 0.80 MMP8 (0.74) MMP1MMP2MMP8MMP7MMP9
SCHEMBL7373606 0.79 MMP1 (0.71) MMP1MMP2MMP8MMP7MMP9
SCHEMBL4351102 0.79 MMP2 (0.84) MMP1MMP2MMP8MMP7MMP9
SCHEMBL29458410 0.79 MMP2 (0.84) MMP1MMP2MMP8MMP7MMP9

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-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET. 2010-11-25 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-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives PHOSPHO1, SGMS2, PTEN MMP1 4626/4885MMP2 4848/4885MMP8 4840/4885

“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.