SCHEMBL425218

SCHEMBL425218

CC(C)(C)OC(=O)n1cccc1-c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
GPR119 Q8TDV5 2/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
F2RL3 Q96RI0 3/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
BCHE P06276 1/20 0.42
P2RY6 Q15077 1/20 0.41
TNK2 Q07912 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL421740 0.79 PAX8 (0.49) PAX8GPR119TP53MAPTF2RL3
SCHEMBL27967415 0.76 TP53 (0.46) PAX8TP53MAPTF2RL3TNF
SCHEMBL18812370 0.75 HSP90AA1 (0.53) HSP90AA1HSP90AB1PIK3R1PIK3CAMAPT
SCHEMBL30981705 0.75 HSP90AA1 (0.50) HSP90AA1HSP90AB1PIK3R1PIK3CATP53
SCHEMBL22036737 0.74 HSP90AA1 (0.53) HSP90AA1HSP90AB1GPR119PIK3R1PIK3CA
SCHEMBL29545889 0.74 HSP90AA1 (0.49) HSP90AA1HSP90AB1GPR119PIK3R1PIK3CA
SCHEMBL20617802 0.74 NR1H2 (0.44) PAX8GPR119
SCHEMBL422508 0.73 HSP90AA1 (0.48) HSP90AA1HSP90AB1GPR119PIK3R1PIK3CA
SCHEMBL31391244 0.73 HSP90AA1 (0.62) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL12450000 0.73 HSP90AA1 (0.52) HSP90AA1HSP90AB1GPR119PIK3R1PIK3CA

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 PAX8 3523/4885HSP90AA1 3062/4885HSP90AB1 2971/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 PAX8 3523/4885HSP90AA1 3062/4885HSP90AB1 2971/4885

“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.