SCHEMBL22845058

SCHEMBL22845058

CC(=O)NC1COCC1NC(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
OGA O60502 1/20 0.32
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 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
SCHEMBL20364053 0.92 CHRNB4 (0.30) NPSR1
SCHEMBL19934115 0.85 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1CYP2C9CYP2C19OGA
SCHEMBL21238478 0.81 MAPK1 (0.30)
SCHEMBL20687623 0.81 MAPK1 (0.30)
SCHEMBL20688104 0.81 MAPK1 (0.30)
SCHEMBL21238475 0.81 MAPK1 (0.30)
SCHEMBL21227366 0.81 MAPK1 (0.30)
SCHEMBL19934117 0.80 CYP1A2 (0.40) SMN1; SMN2NPSR1CYP2C9CYP2C19OGA
SCHEMBL21343054 0.80 CYP1A2 (0.46) SMN1; SMN2NPSR1
SCHEMBL16123034 0.79 FGFR4 (0.37) CYP2C9CYP2C19

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-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-12-31 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-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 SMN1; SMN2 3628/4885NPSR1 2632/4885CYP2C9 4446/4885

“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.