SCHEMBL4447180

SCHEMBL4447180

CC(C)Nc1cccc(Oc2ccc(N)c(N(C)C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.37
GHSR Q92847 1/20 0.36
MMP13 P45452 1/20 0.35
CDK8 P49336 6/20 0.34
MTNR1B P49286 2/20 0.34
MTNR1A P48039 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
LRRK2 Q5S007 1/20 0.33
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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 0.86 CDK8 (0.39) NPY5RCDK8DUSP3PTPN5PTPN11
SCHEMBL4447217 0.84 MEN1 (0.40) NPY5RGHSRMMP13
SCHEMBL6543619 0.83 HDAC3 (0.39) MMP13
SCHEMBL6543768 0.83 MMP13 (0.43) NPY5RMMP13
SCHEMBL27782488 0.82 HSD17B1 (0.47) CDK8TDP1
SCHEMBL6543661 0.81 HSD17B1 (0.39) MMP13
SCHEMBL27782486 0.81 MGLL (0.40) CDK8
SCHEMBL6544573 0.81 FFAR1 (0.40) MMP13
SCHEMBL4450077 0.80 HSD17B1 (0.35) MMP13MTNR1BMTNR1AAAK1
SCHEMBL15930785 0.79 ABL1 (0.35) MMP13AAK1

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG RNASE1, MCL1, EWSR1 NPY5R 3775/4885GHSR 2098/4885MMP13 1507/4885
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 NPY5R 2646/4885GHSR 2888/4885MMP13 1877/4885
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer EGFR, ERBB2, KDR NPY5R 3300/4885GHSR 309/4885MMP13 336/4885
US-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 NPY5R 2646/4885GHSR 2888/4885MMP13 1877/4885

“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.