SCHEMBL9606663

SCHEMBL9606663

CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.37
TOP2A P11388 3/20 0.35
DUT P33316 1/20 0.33

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
SCHEMBL30106079 1.00 FKBP1A (0.37) FKBP1ATOP2ADUT
SCHEMBL420855 1.00 FKBP1A (0.37) FKBP1ATOP2ADUT
SCHEMBL420544 0.90 FKBP1A (0.36) FKBP1ATOP2ADUT
SCHEMBL11970804 0.86 TOP2A (0.38) FKBP1ATOP2ADUT
SCHEMBL19783450 0.84 DUT (0.33) DUT
SCHEMBL7790340 0.78 DUT (0.35) DUT
SCHEMBL15570491 0.77 FKBP1A (0.32) FKBP1A
SCHEMBL8972926 0.76 IRAK4 (0.35) FKBP1ATOP2ADUT
SCHEMBL20660408 0.76 IRAK4 (0.35) FKBP1ATOP2ADUT
SCHEMBL8062803 0.76 FKBP1A (0.33) FKBP1ATOP2ADUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107474024-B Glutaminase inhibitor and composition and application thereof 北京赛林泰医药技术有限公司 2022-12-13 CN disclosed
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-8030495-B2 Cyclopropyl pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. 2011-10-04 US disclosed
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-06-17 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 FKBP1A 2736/4885TOP2A 262/4885DUT 2673/4885
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, OXTR FKBP1A 44/4885TOP2A 4864/4885DUT 4831/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 FKBP1A 2736/4885TOP2A 262/4885DUT 2673/4885

“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.