SCHEMBL30564484

SCHEMBL30564484

O=C(O)CCc1ccc2[nH]ncc2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
CTNNB1 P35222 4/20 0.54
WNT3A P56704 4/20 0.54
HCAR2 Q8TDS4 1/20 0.49
FFAR1 O14842 7/20 0.49
ROCK2 O75116 5/20 0.48
ROCK1 Q13464 5/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL25205712 1.00 MAPK1 (0.55) MAPK1CTNNB1WNT3AHCAR2FFAR1
SCHEMBL23794781 0.85 GSK3B (0.58) MAPK1CTNNB1WNT3AFFAR1ROCK2
SCHEMBL17871699 0.84 MAPK1 (0.57) MAPK1CTNNB1WNT3AROCK2ROCK1
SCHEMBL8666610 0.83 NOS1 (0.57) MAPK1CTNNB1WNT3AROCK2ROCK1
SCHEMBL25231993 0.80 PDE3B (0.55) MAPK1CTNNB1WNT3AHCAR2ROCK2
SCHEMBL30427608 0.80 PDE3B (0.55) MAPK1CTNNB1WNT3AHCAR2ROCK2
SCHEMBL6585051 0.79 ROCK2 (0.58) MAPK1CTNNB1WNT3AROCK2ROCK1
SCHEMBL795331 0.77 ESR1 (0.67) CTNNB1WNT3A
SCHEMBL31280034 0.77 ESR1 (0.67) CTNNB1WNT3A
SCHEMBL795332 0.77 ESR1 (0.67) CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP MAPK1 2316/4885CTNNB1 4575/4885WNT3A 4234/4885

“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.