SCHEMBL428202

SCHEMBL428202

CC(C)(C)OC(=O)n1cccc1-c1nc(C(O)CO)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
TNK2 Q07912 1/20 0.36
ATR Q13535 1/20 0.35
ACKR3 P25106 2/20 0.33
BCHE P06276 1/20 0.33
PTPRB P23467 1/20 0.32
HPGDS O60760 1/20 0.32
BUB1 O43683 1/20 0.32
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
AEBP2 Q6ZN18 1/20 0.31
NR1H2 P55055 2/20 0.30
GPR119 Q8TDV5 1/20 0.30
IDO1 P14902 1/20 0.30
MEN1 O00255 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
SCHEMBL30981705 0.80 HSP90AA1 (0.50) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL422956 0.80 GPR119 (0.33) ACKR3PTPRBNR1H2GPR119TRPV3
SCHEMBL29545889 0.79 HSP90AA1 (0.49) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL27967560 0.78
SCHEMBL422508 0.72 HSP90AA1 (0.48) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL425218 0.69 PAX8 (0.51) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL30701096 0.68 HSP90AA1 (0.52) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL29546690 0.68 HSP90AA1 (0.48) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL22036737 0.67 HSP90AA1 (0.53) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL15498091 0.67 HSP90AA1 (0.54) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2

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 2971/4885PIK3R1 1361/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HSP90AA1 3062/4885HSP90AB1 2971/4885PIK3R1 1361/4885

“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.