SCHEMBL12447056

SCHEMBL12447056

C[Si](C)(C)c1cc2c(s1)-c1sc([Si](C)(C)C)cc1C2=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 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
SCHEMBL793199 0.95 CES1 (0.30) CES1
SCHEMBL14882885 0.90 ALDH1A1 (0.36) —
SCHEMBL15915893 0.78 — —
SCHEMBL10085117 0.72 — —
SCHEMBL12447212 0.70 — —
SCHEMBL10100082 0.69 PTGS2 (0.40) —
SCHEMBL11892888 0.68 TMIGD3 (0.37) —
SCHEMBL771887 0.67 — —
SCHEMBL2197144 0.65 — —
SCHEMBL14942554 0.65 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221664-A1 COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) GEORGIA TECH RESEARCH CORPORATION (US) 2014-08-07 — — US disclosed
US-20140221664-A1 COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) GEORGIA TECH RESEARCH CORPORATION (US) 2014-08-07 — — US disclosed
EP-2742024-A1 COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) Georgia Tech Research Corporation (US) 2014-06-18 — — EP disclosed
US-8436208-B2 Substituted oligo- or polythiophenes BASF SE (DE) 2013-05-07 — — US disclosed
US-8436208-B2 Substituted oligo- or polythiophenes BASF SE (DE) 2013-05-07 — — US disclosed
US-20130102785-A1 METHOD OF MAKING COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING GEORGIA TECH RESEARCH CORPORATION (US) 2013-04-25 — — US disclosed
US-20130102785-A1 METHOD OF MAKING COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING GEORGIA TECH RESEARCH CORPORATION (US) 2013-04-25 — — US disclosed
WO-2013023107-A1 COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) GEORGIA TECH RESEARCH CORPORATION (US) 2013-02-14 — — WO disclosed
WO-2013023107-A1 COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) GEORGIA TECH RESEARCH CORPORATION (US) 2013-02-14 — — WO disclosed
WO-2013023109-A1 COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (COUPLED TRICYCLIC CORE COMPOUNDS) GEORGIA TECH RESEARCH CORPORATION (US) 2013-02-14 — — WO disclosed
WO-2013023109-A1 COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (COUPLED TRICYCLIC CORE COMPOUNDS) GEORGIA TECH RESEARCH CORPORATION (US) 2013-02-14 — — WO disclosed
WO-2013023106-A1 COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ACYL MOIETIES) GEORGIA TECH RESEARCH CORPORATION (US) 2013-02-14 — — WO disclosed
WO-2013023106-A1 COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ACYL MOIETIES) GEORGIA TECH RESEARCH CORPORATION (US) 2013-02-14 — — WO disclosed
WO-2013023108-A1 COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (HETEROARYLENE SPACER MOIETY) GEORGIA TECH RESEARCH CORPORATION (US) 2013-02-14 — — WO disclosed
WO-2013023108-A1 COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (HETEROARYLENE SPACER MOIETY) GEORGIA TECH RESEARCH CORPORATION (US) 2013-02-14 — — WO disclosed
WO-2011098495-A1 METHOD OF MAKING COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-18 — — WO disclosed
US-20110062426-A1 SUBSTITUTED OLIGO- OR POLYTHIOPHENES BASF SE (DE) 2011-03-17 — — 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 (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-20130102785-A1 METHOD OF MAKING COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING NOX5, KAT5, PRXL2A CES1 4272/4885
US-20110062426-A1 SUBSTITUTED OLIGO- OR POLYTHIOPHENES MRPL38, SLC39A7, SLC39A14 CES1 4656/4885

“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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