SCHEMBL3050430

SCHEMBL3050430

COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.39
MMP2 P08253 4/20 0.38
CA2 P00918 1/20 0.37
MCL1 Q07820 4/20 0.36
ELANE P08246 2/20 0.36
MMP9 P14780 3/20 0.36
CMA1 P23946 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3050428 1.00 HDAC8 (0.39) HDAC8MMP2CA2MCL1ELANE
SCHEMBL4449192 1.00 HDAC8 (0.39) HDAC8MMP2CA2MCL1ELANE
SCHEMBL3372052 0.90 ELANE (0.42) MMP2MCL1ELANE
SCHEMBL10221213 0.90 ELANE (0.42) MMP2MCL1ELANE
SCHEMBL15483922 0.90 ELANE (0.42) MMP2MCL1ELANE
SCHEMBL15258574 0.90 ELANE (0.42) MMP2MCL1ELANE
SCHEMBL12864433 0.85 MMP2 (0.39) MMP2MCL1MMP9
SCHEMBL13757878 0.84 AAK1 (0.46) MMP2MCL1MMP9
SCHEMBL3372755 0.84 AAK1 (0.46) MMP2MCL1MMP9
SCHEMBL3402189 0.83 NR1H2 (0.44) MMP2MCL1MMP9

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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 HDAC8 2060/4885MMP2 1771/4885CA2 1716/4885

“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.