SCHEMBL3469849

SCHEMBL3469849

C=CCN(CC=C)OC([NH])=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1489101 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1489102 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL169909 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL612528 0.76 ALDH1A1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL1257020 0.76 TSHR (0.40) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28514951 0.74 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL3453844 0.73 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
Acetic Acid SCHEMBL28451523 0.73 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL986380 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2550182 0.73 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392718-B1 IMPROVED NATIVE CHEMICAL LIGATION WITH THREE OR MORE COMPONENTS GENEPROT INC (CH) 2006-01-11 EP claimed
US-20050064538-A1 Native chemical ligation with three or more components ASTRAZENECA PHARMACEUTICALS LP 2005-03-24 US claimed
EP-1392718-A2 IMPROVED NATIVE CHEMICAL LIGATION WITH THREE OR MORE COMPONENTS Geneprot, Inc. (CH) 2004-03-03 EP claimed
WO-2002098902-A2 IMPROVED NATIVE CHEMICAL LIGATION WITH THREE OR MORE COMPONENTS GENEPROT, INC. (CH) 2002-12-12 WO claimed
US-7662914-B2 Native chemical ligation with three or more components AMYLIN PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
EP-1392718-B1 IMPROVED NATIVE CHEMICAL LIGATION WITH THREE OR MORE COMPONENTS GENEPROT INC (CH) 2006-01-11 EP disclosed
US-20050064538-A1 Native chemical ligation with three or more components ASTRAZENECA PHARMACEUTICALS LP 2005-03-24 US disclosed
EP-1392718-A2 IMPROVED NATIVE CHEMICAL LIGATION WITH THREE OR MORE COMPONENTS Geneprot, Inc. (CH) 2004-03-03 EP disclosed
WO-2002098902-A2 IMPROVED NATIVE CHEMICAL LIGATION WITH THREE OR MORE COMPONENTS GENEPROT, INC. (CH) 2002-12-12 WO 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-20050064538-A1 Native chemical ligation with three or more components VIP, PTMS, FGB ALDH1A1 2856/4885KDM4E 4363/4885MEN1 2565/4885

“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.