SCHEMBL5409558

SCHEMBL5409558

CCCC=CC(=O)NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
PTPN1 P18031 2/20 0.38
HCAR2 Q8TDS4 2/20 0.37
PSMB11 A5LHX3 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37
PSMA3 P25788 1/20 0.37
PSMA4 P25789 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMA5 P28066 1/20 0.37
PSMB4 P28070 1/20 0.37
PSMB6 P28072 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB10 P40306 1/20 0.37
PSMB3 P49720 1/20 0.37
PSMB2 P49721 1/20 0.37

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
SCHEMBL5409553 1.00 TAS1R3 (0.57) TAS1R3TAS1R1PTPN1HCAR2PSMB11
SCHEMBL28206614 0.81
SCHEMBL8089117 0.81
SCHEMBL22294215 0.81
SCHEMBL5411837 0.80 ALDH1A1 (0.37) TAS1R3TAS1R1HCAR2PPARGPPARA
SCHEMBL5411842 0.80 ALDH1A1 (0.37) TAS1R3TAS1R1HCAR2PPARGPPARA
(2E)-Hexenoic Acid SCHEMBL27373174 0.79 TSHR (0.50) TAS1R3TAS1R1PTPN1HCAR2PPARG
(2E)-Hexenoic Acid SCHEMBL23615 0.79
(2E)-Hexenoic Acid SCHEMBL23614 0.79
(2E)-Hexenoic Acid SCHEMBL3048610 0.79 TSHR (0.50) TAS1R3TAS1R1PTPN1HCAR2PPARG

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-7232923-B2 Method of hydroaminating N-alkenoylcarbamates with primary aromatic amines IMPERIAL INNOVATIONS LIMITED (GB) 2007-06-19 US disclosed
US-20060183933-A1 Method of hydroaminating N-alkenoylcarbamates with primary aromatic amines IMPERIAL COLLEGE INNOVATION LIMITED (GB) 2006-08-17 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-20060183933-A1 Method of hydroaminating N-alkenoylcarbamates with primary aromatic amines ALKBH3, HNMT, ALKBH1 TAS1R3 1087/4885TAS1R1 2143/4885PTPN1 4634/4885

“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.