SCHEMBL643466

SCHEMBL643466

C=CC[Sn](CCCC)(CCCC)CC(C)CC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL1029360 0.80 TSHR (0.43) TSHRALDH1A1
SCHEMBL124655 0.80 TSHR (0.43) TSHRALDH1A1
SCHEMBL385253 0.80 TSHR (0.43) TSHRALDH1A1
SCHEMBL29131476 0.76 TSHR (0.42) TSHRALDH1A1
SCHEMBL3639103 0.73 TSHR (0.44) TSHRALDH1A1
SCHEMBL5008705 0.72 CCR5 (0.32) ALDH1A1
SCHEMBL675973 0.71 TSHR (0.48) TSHRALDH1A1
SCHEMBL15018741 0.71 TSHR (0.48) TSHRALDH1A1
Pentane SCHEMBL10676495 0.70 TSHR (0.48) TSHRALDH1A1
SCHEMBL4837074 0.65 TSHR (0.34) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
EP-2463283-A1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases Pfizer Products Inc. (US) 2012-06-13 EP disclosed
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 US disclosed
US-20110313032-A1 COMPETITIVE INHIBITORS OF TYPE II DEHYDROQUINASE ENZYME UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2011-12-22 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
EP-2202230-A1 Competitive inhibitors of type ii dehydroquinase enzyme UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2010-06-30 EP disclosed
EP-2010520-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES Pfizer Products Incorporated (US) 2009-01-07 EP disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
US-20080194887-A1 SEPARATION OF FLUOROUS COMPOUNDS PITTSBURGH UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-08-14 US disclosed
US-7364908-B2 Separation of fluorous compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-04-29 US disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed
EP-1765783-A1 SEPARATION OF FLUOROUS COMPOUNDS UNIVERSITY OF PITTSBURGH (US) 2007-03-28 EP disclosed
WO-2006009835-A1 SEPARATION OF FLUOROUS COMPOUNDS UNIVERSITY OF PITTSBURGH (US) 2006-01-26 WO disclosed
US-20050283032-A1 charging a mixture of compounds to a non-fluorous solid phase (silica gel, alumina, zirconia) and eluting with a fluorous eluting fluid (hydrofluoroalkane, a hydrofluoroether, a hydrofluoroamine, a perfluoroalkane, a perfluoroether, or a perfluoroamine) and a cosolvent: difference in fluorous nature NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-22 US disclosed
EP-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 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 (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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 TSHR 730/4885ALDH1A1 1370/4885
US-20110313032-A1 COMPETITIVE INHIBITORS OF TYPE II DEHYDROQUINASE ENZYME DHODH, HSD17B14, NQO2 TSHR 4710/4885ALDH1A1 413/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 TSHR 730/4885ALDH1A1 1370/4885

“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.