SCHEMBL3245548

SCHEMBL3245548

Cc1cc(Oc2ccc(N)c(N(C)C(=O)OC(C)(C)C)c2)cc(C)c1NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.35
ABL1 P00519 2/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
ATR Q13535 1/20 0.31

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
SCHEMBL15930785 0.89 ABL1 (0.35) ABL1AAK1
SCHEMBL3244256 0.86 MAP4K4 (0.40)
SCHEMBL27939698 0.85 KMT2A (0.37) ABL1AAK1
SCHEMBL3243692 0.84 ALDH1A1 (0.34) LCK
SCHEMBL6543660 0.83 ESRRA (0.37) ABL1
SCHEMBL3239643 0.83 CDK8 (0.39) CA12CA1CA9
SCHEMBL27804076 0.82 ABL1 (0.36) ABL1AAK1
SCHEMBL27804098 0.82 HSD17B1 (0.40)
SCHEMBL27804093 0.80 ABL1 (0.38) ABL1AAK1
SCHEMBL6543619 0.80 HDAC3 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-18 US disclosed
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-8263631-B2 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-09-11 US disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-01-29 US disclosed
EP-1982718-A1 ANTI-CANCER PHARMACEUTICAL COMPOSITION Daiichi Sankyo Company, Limited (JP) 2008-10-22 EP disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US 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-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 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-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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 (7 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 LCK 4392/4885ABL1 3397/4885CA12 388/4885
US-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG RNASE1, MCL1, EWSR1 LCK 1941/4885ABL1 99/4885CA12 957/4885
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 LCK 23/4885ABL1 2/4885CA12 2349/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 LCK 4392/4885ABL1 3397/4885CA12 388/4885
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer EGFR, ERBB2, KDR LCK 125/4885ABL1 41/4885CA12 1933/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 LCK 1329/4885ABL1 338/4885CA12 3116/4885
US-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 LCK 23/4885ABL1 2/4885CA12 2349/4885

“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.