SCHEMBL7916871

SCHEMBL7916871

COc1ccc(O)c(NC(=O)C(C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MMP8 P22894 2/20 0.44
MMP3 P08254 1/20 0.44
ABCB1 P08183 1/20 0.42
HSP90AA1 P07900 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.40
GLS O94925 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK2 O60674 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL12433320 0.85 GAA (0.49) KDM4EHPGDMEN1KMT2AHTT
SCHEMBL1390927 0.84 KDM4E (0.48) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL1390928 0.84 KDM4E (0.48) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL1391102 0.83 MEN1 (0.50) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL15157686 0.83 MEN1 (0.50) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL12432823 0.83 HRH2 (0.42) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL15020425 0.81 HPGD (0.51) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL30567123 0.78 MTNR1B (0.54) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL1390543 0.77 KDM4E (0.45) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL1390542 0.77 KDM4E (0.45) KDM4EHPGDALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO 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 (1 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB KDM4E 1415/4885HPGD 2458/4885ALDH1A1 762/4885

“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.