SCHEMBL676411

SCHEMBL676411

C=C(C)C(=O)OCC(NC)(NC)NC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.42
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
Hydrochloric Acid SCHEMBL248062 0.98 TSHR (0.44) TSHRALDH1A1THRBPOLBAPEX1
Sulfuric Acid SCHEMBL8720200 0.93 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL547837 0.88 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL14994268 0.82 TSHR (0.44) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL2939730 0.80 THRB (0.44) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL10495130 0.80 THRB (0.48) TSHRALDH1A1THRBPOLBAPEX1
Hydrochloric Acid SCHEMBL5538296 0.79 THRB (0.47) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL4948171 0.79 THRB (0.43) TSHRALDH1A1THRBMGAMGAA
Hydrochloric Acid SCHEMBL1237638 0.79 THRB (0.43) TSHRALDH1A1THRBMGAMGAA
SCHEMBL57880 0.78 TSHR (0.52) TSHRALDH1A1THRBPOLBAPEX1

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114173763-A Lacosamide pharmaceutical composition and pharmaceutical preparation thereof 上海奥科达生物医药科技有限公司 2022-03-11 CN claimed
CN-112043681-A Lacosamide pharmaceutical composition and pharmaceutical preparation thereof 上海奥科达生物医药科技有限公司 2020-12-08 CN claimed
US-8540956-B2 Method for preparing titanium-silicalite molecular sieve and method for preparing cyclohexanone oxime using titanium-silicalite molecular sieve CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2013-09-24 US claimed
US-20110144328-A1 METHOD FOR PREPARING TITANIUM-SILICALITE MOLECULAR SIEVE AND METHOD FOR PREPARING CYCLOHEXANONE OXIME USING TITANIUM-SILICALITE MOLECULAR SIEVE CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2011-06-16 US claimed
WO-2010054800-A1 TRIBLOCK COPOLYMER GELATORS STICHTING DUTCH POLYMER INSTITUTE (NL) 2010-05-20 WO claimed
EP-2186858-A1 Triblock copolymer gelators Wageningen Universiteit (NL) 2010-05-19 EP claimed
EP-1814924-A2 AMPHIPHILIC STAR BLOCK COPOLYMERS FIRMENICH SA (CH) 2007-08-08 EP claimed
US-20070160561-A1 AMPHIPHILIC STAR BLOCK COPOLYMERS FIRMENICH SA (CH) 2007-07-12 US claimed
EP-1345594-B1 THERMOFORMABLE SOLID PHARMACEUTICAL COMPOSITION FOR CONTROLLED RELEASE OF IVABRADINE SERVIER LAB (FR) 2007-01-24 EP claimed
WO-2006038110-A2 AMPHIPHILIC STAR BLOCK COPOLYMERS FIRMENICH SA (CH) 2006-04-13 WO claimed
EP-0583319-B1 LIPASE-CATALYZED ESTER HYDROLYSIS NOVO NORDISK AS (DK) 1995-07-12 EP claimed
US-4009317-A Glass fiber coated with a size comprising emulsified clad particles of poly(methyl methacrylate) OWENS-CORNING FIBERGLAS CORPORATION (US) 1977-02-22 US claimed
CN-115023431-B Triterpene compounds, pharmaceutical compositions thereof and use thereof in the treatment of diseases mediated by member 1 of the nuclear receptor subfamily 4 藤济(厦门)生物医药科技有限公司 2024-02-02 CN disclosed
US-20240016711-A1 Perfume Compositions GIVAUDAN SA (CH) 2024-01-18 US disclosed
US-20240016712-A1 Perfume Compositions GIVAUDAN SA (CH) 2024-01-18 US disclosed
CN-117203196-A PDE4 degrading agents, pharmaceutical compositions and therapeutic applications 拜欧斯瑞克斯公司 2023-12-08 CN disclosed
EP-0583319-A1 LIPASE-CATALYZED ESTER HYDROLYSIS. NOVO NORDISK AS (DK) 1994-02-23 EP disclosed
WO-1992019808-A1 LIPASE-CATALYZED ESTER HYDROLYSIS NOVO NORDISK A/S (DK) 1992-11-12 WO disclosed
EP-0203776-A2 Coloring-time controlling layer MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-12-03 EP disclosed
US-4505797-A Ion-exchange membranes reinforced with non-woven carbon fibers IONICS, INCORPORATED (US) 1985-03-19 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 (1 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-20070160561-A1 AMPHIPHILIC STAR BLOCK COPOLYMERS ABCB4, ABCB7, ABCC5 TSHR 1732/4885ALDH1A1 3042/4885THRB 422/4885

“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.