SCHEMBL422508

SCHEMBL422508

CC(C)(C)OC(=O)n1cccc1-c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
GPR119 Q8TDV5 2/20 0.43
TNK2 Q07912 1/20 0.42
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
ATR Q13535 1/20 0.39
BCHE P06276 1/20 0.39
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
METAP1 P53582 1/20 0.37
BUB1 O43683 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
MET P08581 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
DTYMK P23919 1/20 0.35

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
SCHEMBL30981705 0.78 HSP90AA1 (0.50) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL29545889 0.77 HSP90AA1 (0.49) HSP90AA1HSP90AB1GPR119TNK2PIK3R1
SCHEMBL24696638 0.76 HSP90AA1 (0.56) HSP90AA1HSP90AB1GPR119TNK2PIK3R1
SCHEMBL426571 0.75 GPR119 (0.43) GPR119BCHESLC16A3SLC16A1MCTS1
SCHEMBL30701096 0.75 HSP90AA1 (0.52) HSP90AA1HSP90AB1GPR119TNK2PIK3R1
SCHEMBL423020 0.74 CDC7 (0.51) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL22036737 0.74 HSP90AA1 (0.53) HSP90AA1HSP90AB1GPR119TNK2PIK3R1
SCHEMBL30981706 0.74 HSP90AA1 (0.54) HSP90AA1HSP90AB1GPR119TNK2PIK3R1
SCHEMBL27967549 0.74 SLC16A3 (0.38) GPR119SLC16A3SLC16A1MCTS1HPGD
SCHEMBL425218 0.73 PAX8 (0.51) HSP90AA1HSP90AB1GPR119TNK2PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HSP90AA1 3062/4885HSP90AB1 2971/4885GPR119 5/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HSP90AA1 3062/4885HSP90AB1 2971/4885GPR119 5/4885

“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.