SCHEMBL6242014

SCHEMBL6242014

CCC(C(=O)O)C(Br)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
CYP2C19 P33261 1/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 3/20 0.35
FFAR3 O14843 2/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34

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
SCHEMBL30987373 0.85 CYP2C19 (0.50) TDP1CYP2C19HDAC1HDAC2CHRM1
SCHEMBL1604267 0.76 TDP1 (0.50) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL13761133 0.76 TDP1 (0.50) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL4756190 0.76 TDP1 (0.50) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL7992862 0.75 TDP1 (0.40) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL2300986 0.75
SCHEMBL15249466 0.74 TDP1 (0.64) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL1415299 0.74 GRIK1 (0.36) TDP1CYP2C19SLC1A3SLC1A2SLC1A1
SCHEMBL11440142 0.73 TDP1 (0.48) TDP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL11439361 0.73 TDP1 (0.48) TDP1HDAC1HDAC2CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189895-B8 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-11-09 EP disclosed
EP-1189895-B1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-06-08 EP disclosed
US-6723740-B2 ADMINISTERING THERAPEUTIC AMOUNT OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA AGONIST TO LOWER TRIGLYCERIDES SMITHKLINE BEECHAM CORPORATION 2004-04-20 US disclosed
US-6710063-B1 Activators of PPAR delta SMITHKLINE BEECHAM CORPORATION 2004-03-23 US disclosed
US-20030203947-A1 Administration of a therapeutic amount of a 1,3-thiazole-5-yl methylsulfanyl or 1,3-oxazole-5-yl methylsulfanyl derivative to a patient for lowering triglycerides CHAO ESTHER YU-HSUAN (US) 2003-10-30 US disclosed
EP-1189895-A1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2002-03-27 EP disclosed
WO-2001000603-A1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2001-01-04 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 (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-20030203947-A1 Administration of a therapeutic amount of a 1,3-thiazole-5-yl methylsulfanyl or 1,3-oxazole-5-yl methylsulfanyl derivative to a patient for lowering triglycerides PPARA, PPARD, PPARG TDP1 1600/4885CYP2C19 411/4885HDAC1 430/4885

“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.