SCHEMBL6016080

SCHEMBL6016080

CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCN

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.86
MMP2 P08253 7/20 0.86
MMP8 P22894 7/20 0.86
MMP7 P09237 2/20 0.86
MMP9 P14780 6/20 0.84
ADAM10 O14672 1/20 0.73
ADAM12 O43184 1/20 0.73
ADAMTS4 O75173 1/20 0.73
MMP3 P08254 1/20 0.73
MMP12 P39900 1/20 0.73
MMP13 P45452 1/20 0.73
MMP14 P50281 1/20 0.73
MMP15 P51511 1/20 0.73
MMP16 P51512 1/20 0.73
ADAM17 P78536 1/20 0.73
ADAM9 Q13443 1/20 0.73
MMP26 Q9NRE1 1/20 0.73
MMP17 Q9ULZ9 1/20 0.73
ADAMTS5 Q9UNA0 1/20 0.73

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
SCHEMBL3789890 1.00 MMP1 (0.86) MMP1MMP2MMP8MMP7MMP9
SCHEMBL13059991 1.00 MMP1 (0.86) MMP1MMP2MMP8MMP7MMP9
SCHEMBL7408047 0.92 MMP1 (1.00) MMP1MMP2MMP8MMP7MMP9
SCHEMBL8396457 0.92 MMP1 (0.85) MMP1MMP2MMP8MMP7MMP9
SCHEMBL9289926 0.89 MMP1 (1.00) MMP1MMP2MMP8MMP7MMP9
SCHEMBL7411594 0.89 MMP1 (0.82) MMP1MMP2MMP8MMP7MMP9
SCHEMBL5060570 0.87 MMP2 (0.83) MMP1MMP2MMP8MMP7MMP9
SCHEMBL10021285 0.86 MMP1 (0.79) MMP1MMP2MMP8MMP7MMP9
SCHEMBL5558468 0.85 MMP2 (0.82) MMP1MMP2MMP8MMP7MMP9
Ilomastat SCHEMBL35303 0.85 MMP2 (1.00) 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-20060239926-A1 Specific high-relaxivity compounds GUERBET (FR) 2006-10-26 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-20060239926-A1 Specific high-relaxivity compounds TNNC1, TNNT2, TNNI3 MMP1 961/4885MMP2 2607/4885MMP8 2023/4885

“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.