SCHEMBL833616

SCHEMBL833616

N#Cc1ccc(CCOc2ccc(C(=O)NCC(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PPARA Q07869 3/20 0.50
PPARD Q03181 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MMP2 P08253 1/20 0.49
RAB9A P51151 4/20 0.48
EGLN1 Q9GZT9 4/20 0.48
NPC1 O15118 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.48
EPHX2 P34913 1/20 0.47
FFAR1 O14842 1/20 0.47
FLT1 P17948 1/20 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
SCHEMBL833975 0.86 ITGB3 (0.56) ITGB3ITGA2BMEN1KMT2AMAPT
SCHEMBL835721 0.85 MEN1 (0.68) ITGB3ITGA2BMEN1KMT2AMAPT
SCHEMBL833413 0.85 NPC1 (0.56) ITGB3ITGA2BMEN1KMT2AMAPT
SCHEMBL833266 0.85 NPC1 (0.55) ITGB3ITGA2BMEN1KMT2APPARA
SCHEMBL832054 0.85 NPC1 (0.62) ITGB3ITGA2BMEN1KMT2APPARA
SCHEMBL4001580 0.84 KDM4E (0.61) MEN1KMT2AMAPTRAB9AEGLN1
SCHEMBL14966550 0.83 ALDH1A1 (0.59) PPARAPPARDMAPTALDH1A1MMP2
SCHEMBL834146 0.82 MEN1 (0.55) ITGB3ITGA2BMEN1KMT2APPARA
SCHEMBL833394 0.81 RAB9A (0.53) ITGB3ITGA2BMEN1KMT2AMAPT
SCHEMBL833992 0.81 ATM (0.56) ITGB3ITGA2BMEN1KMT2AMAPT

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 ITGB3 2545/4885ITGA2B 3214/4885MEN1 691/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ITGB3 2545/4885ITGA2B 3214/4885MEN1 691/4885

“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.