SCHEMBL255721

SCHEMBL255721

COC(=O)c1cccc(-c2ccc(CC(C)NC(C)=O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 15/20 0.58
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ FNTA P49354 1/20 0.49
▸ FNTB P49356 1/20 0.49
▸ PGGT1B P53609 1/20 0.49
▸ MGLL Q99685 1/20 0.48

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
SCHEMBL12001346 0.89 ACACB (0.71) ACACB
SCHEMBL12001587 0.88 ACACB (0.67) ACACB
SCHEMBL255723 0.87 ACACB (0.64) ACACB
SCHEMBL12001315 0.87 ACACB (0.59) ACACB
SCHEMBL12001431 0.84 ACACB (0.74) ACACB
SCHEMBL12000865 0.83 ACACB (0.71) ACACB
SCHEMBL12001123 0.83 ACACB (0.71) ACACB
SCHEMBL165804 0.82 ACACB (0.82) ACACB
SCHEMBL12001340 0.82 ACACB (0.71) ACACB
SCHEMBL12001046 0.82 ACACB (0.64) ACACB

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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — 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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885CA12 782/4885CA1 2749/4885

“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.

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