SCHEMBL833992

SCHEMBL833992

CC(C)Oc1ccc(CCOc2ccc(C(=O)NCC(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
NR1H4 Q96RI1 2/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
EGLN1 Q9GZT9 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
ACACB O00763 1/20 0.47
MMP1 P03956 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL834904 0.87 ATM (0.72) ATMNR1H4ITGB3ITGA2BRAB9A
SCHEMBL832054 0.86 NPC1 (0.62) ATMNR1H4ITGB3ITGA2BRAB9A
SCHEMBL833413 0.86 NPC1 (0.56) ATMNR1H4ITGB3ITGA2BRAB9A
SCHEMBL833975 0.85 ITGB3 (0.56) ATMNR1H4ITGB3ITGA2BRAB9A
SCHEMBL835721 0.84 MEN1 (0.68) ATMNR1H4ITGB3ITGA2BRAB9A
SCHEMBL833266 0.84 NPC1 (0.55) ATMITGB3ITGA2BRAB9ANPC1
SCHEMBL833394 0.83 RAB9A (0.53) ATMNR1H4ITGB3ITGA2BRAB9A
SCHEMBL833616 0.81 ITGB3 (0.53) ATMITGB3ITGA2BRAB9ANPC1
SCHEMBL834146 0.81 MEN1 (0.55) ATMNR1H4ITGB3ITGA2BRAB9A
SCHEMBL832746 0.80 USP5 (0.52) ATMITGB3ITGA2BRAB9ANPC1

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-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
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US 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 181/4885NR1H4 3572/4885ITGB3 2545/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ATM 181/4885NR1H4 3572/4885ITGB3 2545/4885

“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.