SCHEMBL5058393

SCHEMBL5058393

CC(=O)NP(=O)(O)OSC1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.34
CA12 O43570 6/20 0.34
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA9 Q16790 6/20 0.34
MMP1 P03956 3/20 0.34
MMP8 P22894 2/20 0.34
MMP3 P08254 2/20 0.34
MMP9 P14780 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MDM2 Q00987 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL8657145 0.75 MMP2 (0.33) MMP2CA12CA1CA2CA9
SCHEMBL8860466 0.75 MMP2 (0.33) MMP2CA12CA1CA2CA9
SCHEMBL5058561 0.75 ACHE (0.43) MMP2CA12CA1CA2CA9
SCHEMBL5063491 0.71
SCHEMBL5059552 0.71 MMP2 (0.33) MMP2CA12CA1CA2CA9
SCHEMBL3075937 0.69 FDPS (0.33)
Phosphoric Acid SCHEMBL11622981 0.67 MMP2 (0.33) MMP2CA12CA1CA2CA9
SCHEMBL3065587 0.66 FDPS (0.30) ACHE
SCHEMBL5059554 0.64 MMP2 (0.36) MMP2CA12CA1CA2CA9
SCHEMBL21764934 0.64 POLA1 (0.34) MMP2CA12CA1CA2CA9

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-20080312307-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US claimed
US-20080312307-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (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-20080312307-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 MMP2 898/4885CA12 4837/4885CA1 4606/4885

“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.