SCHEMBL832340

SCHEMBL832340

O=C(O)CNC(=O)c1ccc(OCCCC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
POLB P06746 2/20 0.54
MMP1 P03956 1/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL835577 0.93 ATM (0.57) ATMPOLBMMP1NPC1RAB9A
SCHEMBL4368818 0.84 NPC1 (0.71) ATMPOLBMMP1NPC1RAB9A
SCHEMBL9094910 0.82 CA1 (0.51) POLBMAPTHIF1AALDH1A1
SCHEMBL12894669 0.82 MMP1 (0.74) ATMPOLBMMP1NPC1RAB9A
SCHEMBL834879 0.81 MEN1 (0.67) ATMPOLBMMP1NPC1RAB9A
SCHEMBL679796 0.81 PKM (0.61) ALDH1A1
SCHEMBL835053 0.80 PLK1 (0.67) ATMPOLBMMP1NPC1RAB9A
SCHEMBL833572 0.80 POLB (0.53) ATMPOLBMMP1NPC1RAB9A
SCHEMBL834146 0.79 MEN1 (0.55) ATMPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL19781425 0.79 MMP1 (0.68) POLBMMP1NPC1RAB9AMEN1

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 11 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
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-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 4451/4885POLB 3764/4885MMP1 704/4885
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S ATM 181/4885POLB 3566/4885MMP1 3539/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ATM 181/4885POLB 3566/4885MMP1 3539/4885

“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.