SCHEMBL6850869

SCHEMBL6850869

CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 19/20 1.00
▸ MMP3 P08254 5/20 1.00
▸ MMP9 P14780 2/20 1.00
▸ ADAM17 P78536 1/20 1.00
▸ MMP2 P08253 4/20 0.76
▸ MMP7 P09237 1/20 0.69
▸ MMP8 P22894 1/20 0.69
▸ MMP13 P45452 1/20 0.69

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
SCHEMBL29368148 1.00 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL10429973 0.90 MMP1 (0.82) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL10429916 0.87 MMP1 (0.77) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL10451735 0.86 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL15505966 0.86 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL10451722 0.84 MMP1 (0.83) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL9650310 0.83 MMP1 (0.86) MMP1MMP3MMP9ADAM17
SCHEMBL7276467 0.82 MMP1 (1.00) MMP1MMP3MMP9ADAM17
SCHEMBL7284842 0.82 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL7278285 0.82 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2012-05-31 — — US disclosed
WO-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 — — WO 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-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands MMP8, MMP1, TIMP3 MMP1 2/4885MMP3 11/4885MMP9 4/4885

“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.

Send feedback