SCHEMBL833376

SCHEMBL833376

O=C(O)CNC(=O)c1ccc(OCCCCC2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
MMP1 P03956 1/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
GPR119 Q8TDV5 2/20 0.46

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
SCHEMBL833572 0.96 POLB (0.53) POLBITGB3ITGA2BMMP1ATM
SCHEMBL833438 0.92 ATM (0.52) POLBITGB3ITGA2BMMP1ATM
SCHEMBL4363496 0.87 ATM (0.50) POLBITGB3ITGA2BMMP1ATM
SCHEMBL835751 0.83 PARP15 (0.59) ITGB3ITGA2BATMKDM4EMAPT
SCHEMBL12894669 0.80 MMP1 (0.74) POLBMMP1ATMMAPT
SCHEMBL19781425 0.80 MMP1 (0.68) POLBMMP1
SCHEMBL1000025 0.80 MMP1 (0.68) POLBMMP1
SCHEMBL834879 0.79 MEN1 (0.67) POLBITGB3ITGA2BMMP1ATM
SCHEMBL4363408 0.78 PARP15 (0.61) ITGB3ITGA2BATMKDM4EMAPT
SCHEMBL832340 0.78 ATM (0.56) POLBITGB3ITGA2BMMP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497397-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-30 US disclosed
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 EP disclosed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-8143446-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-27 US disclosed
CN-101272774-B Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO CO LTD 2011-06-08 CN disclosed
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US disclosed
CN-101272774-A Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO CO LTD (JP) 2008-09-24 CN disclosed
EP-1880720-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-01-23 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 (2 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-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S POLB 3566/4885ITGB3 2545/4885ITGA2B 3214/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S POLB 3566/4885ITGB3 2545/4885ITGA2B 3214/4885

“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.