SCHEMBL1999059

SCHEMBL1999059

CC(C)CC(O)C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ANPEP P15144 1/20 0.31
CYP2C19 P33261 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
SCHEMBL11890516 1.00 TSHR (0.35) TSHRMAPK1ALDH1A1ANPEPCYP2C19
SCHEMBL11890518 1.00 TSHR (0.35) TSHRMAPK1ALDH1A1ANPEPCYP2C19
SCHEMBL11990752 0.79 TSHR (0.50) TSHRMAPK1ALDH1A1ANPEPCYP2C19
SCHEMBL13010229 0.79 TSHR (0.50) TSHRMAPK1ALDH1A1ANPEPCYP2C19
SCHEMBL22623946 0.79 TSHR (0.50) TSHRMAPK1ALDH1A1ANPEPCYP2C19
SCHEMBL17163926 0.79 TSHR (0.33) TSHRMAPK1ALDH1A1ANPEPCYP2C19
SCHEMBL31544636 0.76 MAPK1 (0.37) TSHRMAPK1CYP2C19
SCHEMBL10026572 0.74 MEN1 (0.33) TSHRALDH1A1
SCHEMBL14417057 0.74 TSHR (0.33) TSHRMAPK1ALDH1A1
SCHEMBL25954457 0.74 TSHR (0.33) TSHRMAPK1ALDH1A1

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
EP-0474284-A1 Method for modifying the permeability of an underground formation Akzo Nobel N.V. (NL) 1992-03-11 EP claimed
CN-110157538-B Waste oil treatment based on green solvent 中国人民解放军陆军勤务学院 2022-08-23 CN disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-9079890-B2 Intermediates for the preparation of pyridin-2-yl-amino-1,2,4-thiadiazole derivatives ARRAY BIOPHARMA INC. (US) 2015-07-14 US disclosed
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES ARRAY BIOPHARMA, INC. 2015-02-26 US disclosed
US-8853409-B2 Pyridin-2yl-amino-1, 2, 4-thiadiazole derivatives as glucokinase activators for the treatment of diabetes mellitus ARRAY BIOPHARMA INC. (US) 2014-10-07 US disclosed
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA, INC. (US) 2012-11-01 US disclosed
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA, INC. (US) 2012-11-01 US disclosed
US-8212045-B2 Pyridin-2-yl-amino-1, 2, 4-thiadiazole derivatives as glucokinase activators for the treatment of diabetes mellitus ARRAY BIOPHARMA, INC. (US) 2012-07-03 US disclosed
US-20040010967-A1 Friction modifier alkoxyamine salts of carboxylic acids as additives for fuel compositions and methods of use thereof AFTON CHEMICAL INTANGIBLES LLC 2004-01-22 US disclosed
US-20030200697-A1 Friction modifier additives for fuel compositions and methods of use thereof AFTON CHEMICAL INTANGIBLES LLC 2003-10-30 US disclosed
EP-1357170-A2 Friction modifier additives for fuel compositions and methods of use thereof ETHYL CORPORATION (US) 2003-10-29 EP disclosed
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN disclosed
US-6277158-B1 COMBUSTIBLE FUEL CONTAINING FUEL ADDITIVES SUCH AD ASHLESS FRICITION MODIFIER LIKE N-BUTYL AMINE OLEATE, TALL OIL FATTY ACIDS, DEPOSIT INHIBITOR AND CARRIER FLUID EXXON RESEARCH AND ENGINEERING COMPANY 2001-08-21 US disclosed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 TSHR 1340/4885MAPK1 652/4885ALDH1A1 3298/4885
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK TSHR 1257/4885MAPK1 939/4885ALDH1A1 1019/4885
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES PDXK, IL4I1, CDK2 TSHR 1180/4885MAPK1 1443/4885ALDH1A1 337/4885

“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.