SCHEMBL427684

SCHEMBL427684

CC(C)(C)OC(=O)n1c(Br)ccc1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TSHR P16473 2/20 0.43
SYK P43405 1/20 0.42
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
STAT1 P42224 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL10225709 0.86 TDP1 (0.48) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL425376 0.83 GLA (0.39) KMT2ATSHRMEN1L3MBTL1ATM
SCHEMBL27840920 0.78 NR1H2 (0.44)
SCHEMBL421300 0.78 RORC (0.36) GPR119
SCHEMBL23174287 0.75 L3MBTL1 (0.42) KMT2ATSHRLMNAMEN1CYP3A4
SCHEMBL17231920 0.75 TDP1 (0.43) TDP1KMT2ASLC6A2SLC6A3SYK
SCHEMBL424632 0.74 BCHE (0.42) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL2512518 0.73 TDP1 (0.41) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL17893034 0.72 FKBP1A (0.51) ALDH1A1HPGDPDK1PDK2PDK3
SCHEMBL8332542 0.72 FKBP1A (0.51) ALDH1A1HPGDPDK1PDK2PDK3

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 TDP1 4156/4885KMT2A 2958/4885SLC6A2 341/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 TDP1 4156/4885KMT2A 2958/4885SLC6A2 341/4885

“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.