SCHEMBL1386360

SCHEMBL1386360

C=CCOC(=O)CC(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 3/20 0.46
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL28500448 0.82 TDP1 (0.45) TDP1TSHRALDH1A1GAAMAPT
SCHEMBL9280069 0.80 TDP1 (0.55) TDP1TSHRALDH1A1GAAMAPT
SCHEMBL57069 0.80 TSHR (0.52) TDP1TSHRALDH1A1GAAMAPT
SCHEMBL1076199 0.80 TDP1 (0.42) TDP1TSHRALDH1A1GAAMAPT
SCHEMBL28570919 0.80 TDP1 (0.50) TDP1TSHRALDH1A1GAAMAPT
SCHEMBL8627208 0.79 TSHR (0.46) TDP1TSHRALDH1A1GAAMAPT
SCHEMBL10534450 0.79 TDP1 (0.46) TDP1TSHRALDH1A1GAAMAPT
SCHEMBL28559374 0.78 TDP1 (0.53) TDP1TSHRALDH1A1GAAMAPT
SCHEMBL8865453 0.78 TSHR (0.50) TDP1TSHRALDH1A1GAAMAPT
Lithium SCHEMBL31366079 0.78 TSHR (0.50) TDP1TSHRALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011083495-A2 PROCESS FOR THE PREPARATION OF DIHYDROXY PROTECTED DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS MSN LABORATORIES LIMITED (IN) 2011-07-14 WO claimed
JP-4649813-B2 2011-03-16 JP claimed
US-20040181065-A1 Process for preparing 2-amino-4-(4-fluorphenyl) -6-alkylpyrimidine-5-carboxylate VEITH ULRICH (CH) 2004-09-16 US claimed
US-20030199695-A1 Preparation of 4-(4-flourophenyl)-6-alkyl-2-N-alkansulfonyl-N-alkylamino)pyrimidine-5-carboxylic acid ester. VEITH ULRICH (CH) 2003-10-23 US claimed
JP-2003504359-A 2003-02-04 JP claimed
EP-1194414-A1 PROCESS FOR PREPARING 2-AMINO-4-(4-FLUORPHENYL)-6-ALKYLPYRIMIDINE-5-CARBOXYLATE Lonza AG (CH) 2002-04-10 EP claimed
WO-2001004100-A1 PROCESS FOR PREPARING 2-AMINO-4-(4-FLUORPHENYL)-6-ALKYLPYRIMIDINE-5-CARBOXYLATE LONZA AG (CH) 2001-01-18 WO claimed
CN-103864697-A Preparation method of rosuvastatin intermediate main chain alcohol RUNZE PHARMACEUTICAL SUZHOU CO LTD 2014-06-18 CN disclosed
WO-2011083495-A2 PROCESS FOR THE PREPARATION OF DIHYDROXY PROTECTED DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS MSN LABORATORIES LIMITED (IN) 2011-07-14 WO disclosed
WO-2009084827-A2 SYNTHETIC INTERMEDIATES, PROCESS FOR PREPARING PYRROLYLHEPTANOIC ACID DERIVATIVES THEREFROM DONG-A PHARM.CO., LTD. (KR) 2009-07-09 WO disclosed
US-6984757-B2 Process for preparing 2-amino-4-(4-fluorphenyl)-6-alkylpyrimidine-5-carboxylate LONZA AG (CH) 2006-01-10 US disclosed
US-20040181065-A1 Process for preparing 2-amino-4-(4-fluorphenyl) -6-alkylpyrimidine-5-carboxylate VEITH ULRICH (CH) 2004-09-16 US disclosed
US-6710178-B2 CYCLIZATION REACTION OF A 2-(-1-AMINO-1-(4- FLOUROPHENYL )METHYLENE)-4-ALKYL-3-OXO-ALKANOIC ACID ESTER AND AN N-CYANO-N-ALKYLALKANESULFONAMIDE LONZA AG (CH) 2004-03-23 US disclosed
US-20030199695-A1 Preparation of 4-(4-flourophenyl)-6-alkyl-2-N-alkansulfonyl-N-alkylamino)pyrimidine-5-carboxylic acid ester. VEITH ULRICH (CH) 2003-10-23 US disclosed
EP-1339818-A2 INTERFACE-ACTIVE COMBINATION, WHICH IS EFFECTIVE IN CLEANING, WHICH IS COMPRISED OF RENEWABLE RAW MATERIALS, AND WHICH HAS A HIGH GREASE SOLUBILIZING POWER Novaprot GmbH (DE) 2003-09-03 EP disclosed
US-6579984-B1 Economical, industrially feasible LONZA AG (CH) 2003-06-17 US disclosed
WO-2002046342-A2 INTERFACE-ACTIVE COMBINATION, WHICH IS EFFECTIVE IN CLEANING, WHICH IS COMPRISED OF RENEWABLE RAW MATERIALS, AND WHICH HAS A HIGH GREASE SOLUBILIZING POWER NOVAPROT GMBH (DE) 2002-06-13 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 (2 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-20030199695-A1 Preparation of 4-(4-flourophenyl)-6-alkyl-2-N-alkansulfonyl-N-alkylamino)pyrimidine-5-carboxylic acid ester. PFAS, F7, AFF1 TDP1 3614/4885TSHR 1577/4885ALDH1A1 299/4885
US-20040181065-A1 Process for preparing 2-amino-4-(4-fluorphenyl) -6-alkylpyrimidine-5-carboxylate ALKBH1, F7, CYP2B6 TDP1 3145/4885TSHR 1950/4885ALDH1A1 359/4885

“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.