SCHEMBL3359533

SCHEMBL3359533

CC(C)C(Cl)OC(=O)OC(Cl)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35

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
SCHEMBL5761384 0.92 TSHR (0.42) TSHR
SCHEMBL8990506 0.89 SMN1; SMN2 (0.37) TSHR
SCHEMBL20661277 0.81 ALDH1A1 (0.50)
SCHEMBL7403671 0.80
SCHEMBL25807 0.80
SCHEMBL25365898 0.80
SCHEMBL2101489 0.80
SCHEMBL1171077 0.80
SCHEMBL10621774 0.78
SCHEMBL1171090 0.78 SMN1; SMN2 (0.32) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107954999-B Oxadiazole ring-containing compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2023-01-24 CN disclosed
CN-104271554-B SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES 霍夫曼-拉罗奇有限公司 2016-11-23 CN disclosed
WO-2016014527-A2 STABILIZED NUCLEOTIDES FOR MEDICAL TREATMENT ACHILLION PHARMACEUTICALS, INC. (US) 2016-01-28 WO disclosed
US-20160016986-A1 STABILIZED NUCLEOTIDES FOR MEDICAL TREATMENT ACHILLION PHARMACEUTICALS, INC. 2016-01-21 US disclosed
CN-104271554-A Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2015-01-07 CN disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
EP-1509537-B9 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-11-14 EP disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
EP-1509537-B1 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-07-18 EP disclosed
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 EP disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-4368198-A BACTERICIDES ESPECIALLY ANTI-PSEUDOMONAS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1983-01-11 US disclosed
US-4302454-A Cephalosporins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-11-24 US disclosed
US-4165373-A ANTIBIOTICS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-08-21 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-20160016986-A1 STABILIZED NUCLEOTIDES FOR MEDICAL TREATMENT NUDT1, DUT, ADAR TSHR 3949/4885
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TSHR 1887/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TSHR 1887/4885

“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.