SCHEMBL834768

SCHEMBL834768

CC(C)COc1ccc(C(=O)NCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
MAPT P10636 4/20 0.59
HPGD P15428 2/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 2/20 0.59
USP2 O75604 1/20 0.59
NPSR1 Q6W5P4 1/20 0.56
NR1H4 Q96RI1 1/20 0.55
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
NPC1 O15118 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
RAB9A P51151 2/20 0.51

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
SCHEMBL25039727 0.85 ALDH1A1 (0.56) MAPTHPGDALDH1A1POLBUSP2
SCHEMBL4371847 0.85 ATM (0.68) ATMMAPTHPGDALDH1A1POLB
SCHEMBL834817 0.85 ATM (0.53) ATMMAPTHPGDALDH1A1POLB
SCHEMBL834904 0.81 ATM (0.72) ATMMAPTHPGDALDH1A1POLB
SCHEMBL12894669 0.80 MMP1 (0.74) ATMMAPTHPGDALDH1A1POLB
SCHEMBL835053 0.80 PLK1 (0.67) ATMMAPTHPGDALDH1A1POLB
SCHEMBL2796671 0.79 ALDH1A1 (0.67) ATMMAPTHPGDALDH1A1POLB
SCHEMBL834902 0.79 NR1H4 (0.70) MAPTHPGDPOLBNPSR1NR1H4
SCHEMBL5241849 0.78 NPC1 (0.58) MAPTHPGDALDH1A1POLBUSP2
SCHEMBL834879 0.78 MEN1 (0.67) ATMMAPTHPGDPOLBITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908466-B1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-19 EP disclosed
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-8344029-B2 Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-01 US 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-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 US 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
CN-101267813-A Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO CO LTD (JP) 2008-09-17 CN disclosed
EP-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 EP 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 (3 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-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PTMS, C1S, ACP3 ATM 4451/4885MAPT 3124/4885HPGD 985/4885
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S ATM 181/4885MAPT 2207/4885HPGD 570/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ATM 181/4885MAPT 2207/4885HPGD 570/4885

“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.