SCHEMBL10201331

SCHEMBL10201331

CC(C)OC1OC(=O)C[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
AKT1 P31749 1/20 0.32
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL10201345 1.00 SMN1; SMN2 (0.43) SMN1; SMN2THRBALOX15AKT1CA1
SCHEMBL3470835 0.78 SMN1; SMN2 (0.37) SMN1; SMN2THRBALOX15
SCHEMBL12949780 0.78 SMN1; SMN2 (0.37) SMN1; SMN2THRBALOX15
SCHEMBL8286845 0.78 SMN1; SMN2 (0.37) SMN1; SMN2THRBALOX15
SCHEMBL13776551 0.77
SCHEMBL11000184 0.74 SMN1; SMN2 (0.33) SMN1; SMN2THRBALOX15
SCHEMBL11105614 0.74 SMN1; SMN2 (0.33) SMN1; SMN2THRBALOX15
SCHEMBL10110367 0.72 SMN1; SMN2 (0.48) SMN1; SMN2THRBALOX15AKT1CA1
SCHEMBL16369092 0.72 SMN1; SMN2 (0.48) SMN1; SMN2THRBALOX15AKT1CA1
SCHEMBL12831196 0.72 SMN1; SMN2 (0.43) SMN1; SMN2THRBALOX15CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 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 (2 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B SMN1; SMN2 2804/4885THRB 4008/4885ALOX15 917/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B SMN1; SMN2 2804/4885THRB 4008/4885ALOX15 917/4885

“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.