SCHEMBL10201808

SCHEMBL10201808

CCOC1OC(=O)C[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
TK1 P04183 1/20 0.31
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP1A2 P05177 3/20 0.30
MAOA P21397 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
SCHEMBL16381874 1.00 SMN1; SMN2 (0.43) SMN1; SMN2TK1CA1CA9THRB
SCHEMBL12831196 1.00 SMN1; SMN2 (0.43) SMN1; SMN2TK1CA1CA9THRB
SCHEMBL13776589 0.83 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2MAOA
SCHEMBL10262612 0.83 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2MAOA
SCHEMBL29317498 0.81 SMN1; SMN2 (0.35) SMN1; SMN2TK1
SCHEMBL5502298 0.78 SMN1; SMN2 (0.37) SMN1; SMN2TK1
SCHEMBL3036948 0.78 SMN1; SMN2 (0.37) SMN1; SMN2TK1
SCHEMBL7150924 0.78 SMN1; SMN2 (0.37) SMN1; SMN2TK1
SCHEMBL3060283 0.78 SMN1; SMN2 (0.37) SMN1; SMN2TK1
Hydrochloric Acid SCHEMBL7928006 0.77 SMN1; SMN2 (0.35) SMN1; SMN2TK1

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 9 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-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-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
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 EP 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 2804/4885TK1 2733/4885CA1 2020/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B SMN1; SMN2 2804/4885TK1 2733/4885CA1 2020/4885

“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.