SCHEMBL5655459

SCHEMBL5655459

CCC(=O)CC(Br)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
FFAR3 O14843 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.36
TSHR P16473 1/20 0.35
GPR84 Q9NQS5 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 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
SCHEMBL9306682 0.82 TSHR (0.50) TDP1SLC22A6TSHRSMN1; SMN2MAPT
SCHEMBL398403 0.77
SCHEMBL451580 0.77
SCHEMBL29244176 0.76 TDP1 (0.41) TDP1TSHRHDAC1HDAC2HDAC8
SCHEMBL17499833 0.75 TDP1 (0.43) TDP1SLC22A6TSHRSMN1; SMN2MAPT
SCHEMBL2593186 0.73 SLC22A6 (0.65) TDP1FFAR3SLC22A6GPR84SMN1; SMN2
SCHEMBL9736245 0.73 TDP1 (0.43) TDP1FFAR3SLC22A6GPR84SMN1; SMN2
SCHEMBL3825493 0.73
SCHEMBL4805026 0.73 SLC22A6 (0.65) TDP1FFAR3SLC22A6GPR84SMN1; SMN2
SCHEMBL4082266 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196107-B2 Thia-and oxazoles and their use as ppars activators SMITHKLINE BEECHAM CORPORATION (US) 2007-03-27 US disclosed
EP-1343772-B1 THIA- AND OXAZOLES AND THEIR USE AS PPARS ACTIVATORS GLAXO GROUP LTD (GB) 2006-05-31 EP disclosed
US-20040102493-A1 Thia-and oxazoles and their use as ppars activators SMITHKLINE BEECHAM CORPORATION 2004-05-27 US disclosed
EP-1343772-A1 THIA- AND OXAZOLES AND THEIR USE AS PPARS ACTIVATORS GLAXO GROUP LIMITED (GB) 2003-09-17 EP disclosed
WO-2002050048-A1 THIA- AND OXAZOLES AND THEIR USE AS PPARS ACTIVATORS GLAXO GROUP LIMITED (GB) 2002-06-27 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-20040102493-A1 Thia-and oxazoles and their use as ppars activators PPARA, PPARG, NCOA1 TDP1 3677/4885FFAR3 11/4885SLC22A6 3680/4885

“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.