SCHEMBL3244256

SCHEMBL3244256

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccc(NC(=O)OC(C)(C)C)cc2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.40
BRAF P15056 9/20 0.39
HDAC1 Q13547 8/20 0.39
HDAC3 O15379 5/20 0.39
HDAC4 P56524 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC10 Q969S8 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC9 Q9UKV0 5/20 0.39
HDAC5 Q9UQL6 5/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAF1 P04049 1/20 0.39
ARAF P10398 1/20 0.39
CYP17A1 P05093 1/20 0.37
NPY5R Q15761 1/20 0.37
MAPKAPK2 P49137 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
SCHEMBL3239643 0.90 CDK8 (0.39) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3245548 0.86 LCK (0.35)
SCHEMBL6544374 0.84 PARP10 (0.38) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL6544248 0.84 PARP10 (0.40) BRAFHDAC1SMN1; SMN2RAF1ARAF
SCHEMBL27804098 0.84 HSD17B1 (0.40) SMN1; SMN2
SCHEMBL6543768 0.84 MMP13 (0.43) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL3238209 0.84 PPARA (0.42) MAP4K4HDAC1CYP17A1MAPKAPK2
SCHEMBL3244124 0.83 MEN1 (0.42) HPGDSMN1; SMN2NPY5RNPC1CRHBP
SCHEMBL15930785 0.82 ABL1 (0.35) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL3244819 0.82 CA2 (0.43) HDAC1

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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 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
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 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 MAP4K4 3180/4885BRAF 311/4885HDAC1 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.