SCHEMBL425376

SCHEMBL425376

CCOC(=O)c1ccc(Br)n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.36
IGF1R P08069 1/20 0.35
NR1H2 P55055 1/20 0.35
DRD3 P35462 2/20 0.35
IDO1 P14902 1/20 0.35
ESR1 P03372 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL23174287 0.93 L3MBTL1 (0.42) GLAL3MBTL1ADORA1MEN1KMT2A
SCHEMBL427684 0.83 TDP1 (0.43) L3MBTL1MEN1KMT2ATSHRATM
SCHEMBL421300 0.80 RORC (0.36) NR1H2
SCHEMBL421514 0.80 BCHE (0.36) MEN1KMT2ANR1H2
SCHEMBL26694676 0.80 CRHBP (0.40) GLAL3MBTL1MEN1KMT2ACRHBP
SCHEMBL424632 0.79 BCHE (0.42) MEN1KMT2ANR1H2
SCHEMBL26976053 0.78 GLA (0.40) GLAL3MBTL1KMT2ACRHBPCRHR2
SCHEMBL27087987 0.78 MEN1 (0.38) GLAL3MBTL1MEN1KMT2ACRHBP
SCHEMBL30758195 0.78 L3MBTL1 (0.40) GLAL3MBTL1MEN1KMT2ACRHBP
SCHEMBL3436434 0.76 L3MBTL1 (0.43) GLAL3MBTL1ADORA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017069601-A1 SUBSTITUTED AMINOALKYLAZOLES AS MALARIAL ASPARTIC PROTEASE INHIBITORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2017-04-27 WO disclosed
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 GLA 2026/4885L3MBTL1 3855/4885ADORA1 915/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 GLA 2026/4885L3MBTL1 3855/4885ADORA1 915/4885

“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.