SCHEMBL289488

SCHEMBL289488

CCC(Cl)(C(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR3 O14843 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL6678513 0.86 TSHR (0.44) ALDH1A1TSHRTP53MEN1CYP1A2
SCHEMBL9766503 0.80 ALDH1A1 (0.35) ALDH1A1TSHRTP53MEN1CYP1A2
SCHEMBL31150640 0.75 ALDH1A1 (0.35) ALDH1A1TSHRTP53
SCHEMBL10820962 0.75 CA4 (0.39) TSHRFFAR3
SCHEMBL9370436 0.75 ALDH1A1 (0.35) ALDH1A1TSHRTP53MEN1CYP1A2
SCHEMBL17224645 0.75 ALDH1A1 (0.35) ALDH1A1TSHRTP53MEN1CYP1A2
SCHEMBL27554006 0.75 FDPS (0.41) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL16445975 0.73 FDPS (0.46)
SCHEMBL3711104 0.73 CES2 (0.36) ALDH1A1TSHRTP53MEN1CYP1A2
SCHEMBL22344279 0.73 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210197116-A1 METHOD OF SCAVENGING ACID SULFIDE SPECIES INNOSPEC LIMITED (GB) 2021-07-01 US claimed
US-20210198129-A1 METHODS, PRODUCTS & USES RELATING TO SCAVENGING OF ACIDIC SULFIDE SPECIES INNOSPEC LIMITED (GB) 2021-07-01 US claimed
EP-3840857-A1 METHODS, PRODUCTS & USES RELATING TO SCAVENGING OF ACIDIC SULFIDE SPECIES Innospec Limited (GB) 2021-06-30 EP claimed
EP-3840858-A1 METHOD OF SCAVENGING ACID SULFIDE SPECIES Innospec Limited (GB) 2021-06-30 EP claimed
CN-108218702-B Preparation method of 2-fluoro ethyl acetoacetate 湖北卓熙氟化股份有限公司 2020-10-09 CN claimed
WO-2020039200-A1 METHODS, PRODUCTS & USES RELATING TO SCAVENGING OF ACIDIC SULFIDE SPECIES INNOSPEC LIMITED (GB) 2020-02-27 WO claimed
WO-2020039199-A1 METHOD OF SCAVENGING ACID SULFIDE SPECIES INNOSPEC LIMITED (GB) 2020-02-27 WO claimed
US-20200040108-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA 2020-02-06 US claimed
WO-2020026143-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2020-02-06 WO claimed
EP-3604346-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES Procter & Gamble International Operations SA (CH) 2020-02-05 EP claimed
WO-2014108919-A2 NOVEL INTERMEDIATE AND POLYMORPHS OF 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-c] PYRIDINE-3-CARBOXAMIDE AND PROCESS THEREOF MSN LABORATORIES LIMITED (IN) 2014-07-17 WO claimed
WO-2014057461-A1 PROCESS FOR THE PREPARATION OF CRYSTALLINE FORM G OF FEBUXOSTAT RANBAXY LABORATORIES LIMITED (IN) 2014-04-17 WO claimed
EP-2386548-A2 Preparation of thionamides Abbott Laboratories (US) 2011-11-16 EP claimed
US-7541475-B2 Substituted thiazoles ABBOTT LABORATORIES (US) 2009-06-02 US claimed
JP-2007500724-A 2007-01-18 JP claimed
EP-1651624-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIAZOLES Abbott Laboratories (US) 2006-05-03 EP claimed
US-20050075503-A1 Substituted thiazoles ABBVIE INC. 2005-04-07 US claimed
WO-2005012273-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIAZOLES ABBOTT LABORATORIES (US) 2005-02-10 WO claimed
US-20050027128-A1 Substituted thiazoles ABBOTT LABORATORIES 2005-02-03 US claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed

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-20050027128-A1 Substituted thiazoles XDH, TH, TPI1 ALDH1A1 313/4885TSHR 1022/4885TP53 4246/4885
US-20050075503-A1 Substituted thiazoles XDH, TH, TPI1 ALDH1A1 313/4885TSHR 1022/4885TP53 4246/4885
US-20200040108-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES MGAM, FUT5, FUT6 ALDH1A1 464/4885TSHR 1930/4885TP53 4085/4885

“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.