SCHEMBL211191

SCHEMBL211191

CC(C)(C)[Si](C)(C)OCC1CCC(=O)N1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.34
PTGER2 P43116 3/20 0.34
PTGDR Q13258 2/20 0.34
PTGER3 P43115 2/20 0.34
FKBP1A P62942 1/20 0.34
ACE P12821 2/20 0.33
TOP2A P11388 1/20 0.32

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
SCHEMBL3742158 1.00 DUT (0.34) DUTPTGER2PTGDRPTGER3FKBP1A
SCHEMBL21552649 0.86 PTGER2 (0.33) DUTPTGER2PTGDRPTGER3ACE
SCHEMBL21552619 0.86 PTGER2 (0.33) DUTPTGER2PTGDRPTGER3ACE
SCHEMBL21552650 0.86 PTGER2 (0.33) DUTPTGER2PTGDRPTGER3ACE
SCHEMBL625416 0.85 CHRM2 (0.35) DUTFKBP1ATOP2A
SCHEMBL958204 0.85 CHRM2 (0.35) DUTFKBP1ATOP2A
SCHEMBL211419 0.85 CHRM2 (0.35) DUTFKBP1ATOP2A
SCHEMBL21802089 0.81 FKBP1A (0.35) DUTFKBP1ATOP2A
SCHEMBL28523662 0.81 FKBP1A (0.35) DUTPTGER2PTGDRPTGER3FKBP1A
SCHEMBL3750168 0.81 FKBP1A (0.35) DUTPTGER2PTGDRPTGER3FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 DUT 2673/4885PTGER2 319/4885PTGDR 697/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 DUT 2673/4885PTGER2 319/4885PTGDR 697/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 DUT 2673/4885PTGER2 319/4885PTGDR 697/4885

“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.