SCHEMBL834904

SCHEMBL834904

CC(C)Oc1ccc(C(=O)NCC(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.72
KMT2A Q03164 2/20 0.59
NR1H4 Q96RI1 1/20 0.58
HPGD P15428 4/20 0.57
TP53 P04637 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
EGLN1 Q9GZT9 1/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
HIF1A Q16665 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
POLB P06746 1/20 0.54
ALDH1A1 P00352 4/20 0.54
PARP10 Q53GL7 1/20 0.53
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
MCL1 Q07820 1/20 0.51
HSD17B10 Q99714 1/20 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
SCHEMBL833992 0.87 ATM (0.56) ATMKMT2ANR1H4HPGDTP53
SCHEMBL25362664 0.84 ATM (0.63) ATMHPGDTP53RAB9ASMN1; SMN2
SCHEMBL25362660 0.84 ATM (0.63) ATMHPGDTP53RAB9ASMN1; SMN2
SCHEMBL25364674 0.84 ATM (0.63) ATMHPGDTP53RAB9ASMN1; SMN2
SCHEMBL13753315 0.83 NR1H4 (0.61) KMT2ANR1H4HPGDTP53RAB9A
SCHEMBL2796671 0.81 ALDH1A1 (0.67) ATMKMT2ANR1H4HPGDTP53
SCHEMBL834768 0.81 ATM (0.60) ATMKMT2ANR1H4HPGDTP53
SCHEMBL6361429 0.81 KMT2A (0.60) KMT2ANR1H4HPGDTP53RAB9A
SCHEMBL11759690 0.81 RAB9A (0.69) KMT2ANR1H4HPGDTP53RAB9A
SCHEMBL11107537 0.80 KDM4E (0.80) ATMKMT2AKDM4EMAPTHIF1A

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 ATM 181/4885KMT2A 4205/4885NR1H4 3572/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ATM 181/4885KMT2A 4205/4885NR1H4 3572/4885

“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.