SCHEMBL21991374

SCHEMBL21991374

CCCCNCC(=O)NCC(=O)NCC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
PAOX Q6QHF9 1/20 0.41
EPHX1 P07099 4/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 4/20 0.37
CASP2 P42575 1/20 0.37
MMP2 P08253 1/20 0.37
DPP4 P27487 1/20 0.37
CNR1 P21554 1/20 0.37
FAAH O00519 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL6701235 0.83
SCHEMBL17663629 0.82 GAA (0.49) GAAPAOXEPHX1MEN1KMT2A
SCHEMBL20095068 0.82 GAA (0.53) GAAEPHX1HDAC1HDAC2TSHR
SCHEMBL28528638 0.82 GAA (0.56) GAAPAOXEPHX1HDAC1HDAC2
Hydrochloric Acid SCHEMBL3946348 0.81 GAA (0.50) GAAPAOXEPHX1HDAC1HDAC2
SCHEMBL24393668 0.79 MCL1 (0.35) GAAMEN1KMT2ADPP4FAAH
SCHEMBL21440848 0.79 MCL1 (0.35) GAAMEN1KMT2ADPP4FAAH
SCHEMBL21440822 0.79 MCL1 (0.35) GAAMEN1KMT2ADPP4FAAH
SCHEMBL25661969 0.79 MCL1 (0.35) GAAMEN1KMT2ADPP4FAAH
SCHEMBL4985640 0.79 FAAH (0.49) GAAEPHX1TSHRMEN1KMT2A

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-11174301-B2 Peptide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 US disclosed
US-20200140505-A1 PEPTIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2020-05-07 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 (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-20200140505-A1 PEPTIDE COMPOUND GIPR, GLP1R, GRPR GAA 2595/4885PAOX 3571/4885EPHX1 4810/4885
US-11174301-B2 Peptide compound GIPR, GLP1R, GRPR GAA 2595/4885PAOX 3571/4885EPHX1 4810/4885

“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.