SCHEMBL3239643

SCHEMBL3239643

CN(C(=O)OC(C)(C)C)c1cc(Oc2cccc(NC(=O)OC(C)(C)C)c2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 7/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPY5R Q15761 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
CYP17A1 P05093 1/20 0.37
KAT6A Q92794 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL3244256 0.90 MAP4K4 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4447180 0.86 NPY5R (0.37) CDK8NPY5RDUSP3PTPN5PTPN11
SCHEMBL6543619 0.84 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6543768 0.84 MMP13 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3245632 0.84 MEN1 (0.42)
SCHEMBL27782488 0.83 HSD17B1 (0.47) CDK8TDP1
SCHEMBL3245548 0.83 LCK (0.35) CA12CA1CA9
SCHEMBL6543661 0.82 HSD17B1 (0.39)
SCHEMBL27782486 0.82 MGLL (0.40) CDK8
SCHEMBL6544573 0.81 FFAR1 (0.40) HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CDK8 910/4885HDAC3 201/4885HDAC1 90/4885

“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.