SCHEMBL5187183

SCHEMBL5187183

C=CCON=C1CN(C(=O)OC(C)(C)C)Cc2occc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
ESR2 Q92731 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
TGM2 P21980 2/20 0.31
F13A1 P00488 1/20 0.31
TGM1 P22735 1/20 0.31
NAMPT P43490 1/20 0.31
NR1H2 P55055 2/20 0.31
MAPK1 P28482 1/20 0.31
FAAH O00519 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL5187181 1.00 HDAC1 (0.33) HDAC1ESR2GPR119TGM2F13A1
SCHEMBL5258305 0.85 MAPT (0.36) MAPTPKM
SCHEMBL5258311 0.85 MAPT (0.36) MAPTPKM
SCHEMBL5186363 0.80 HDAC1 (0.35) HDAC1ESR2GPR119TGM2F13A1
SCHEMBL5186370 0.80 HDAC1 (0.35) HDAC1ESR2GPR119TGM2F13A1
SCHEMBL5185459 0.77 GPR119 (0.33) GPR119
SCHEMBL5185454 0.77 GPR119 (0.33) GPR119
SCHEMBL5187312 0.77 ELANE (0.36) HDAC1GPR119TGM2F13A1TGM1
SCHEMBL5187314 0.77 ELANE (0.36) HDAC1GPR119TGM2F13A1TGM1
SCHEMBL5186459 0.75 USP2 (0.39) HDAC1ESR2GPR119NR1H2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 US 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 (1 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS HDAC1 1923/4885ESR2 4717/4885GPR119 4247/4885

“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.