SCHEMBL24477644

SCHEMBL24477644

CCCCC(CCCCN)C(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.67
CA1 P00915 4/20 0.67
CPB2 Q96IY4 4/20 0.51
ZDHHC7 Q9NXF8 1/20 0.49
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
BIRC2 Q13490 2/20 0.43
MAPK1 P28482 1/20 0.42
ERAP2 Q6P179 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL7468343 0.88 CA2 (0.77) CA2CA1ZDHHC7BIRC2MAPK1
SCHEMBL8950290 0.88 CA2 (0.83) CA2CA1ZDHHC7BIRC2MAPK1
SCHEMBL27712453 0.87 CA2 (0.59) CA2CA1CPB2ZDHHC7DPP7
SCHEMBL672594 0.86 CA2 (0.74) CA2CA1ZDHHC7BIRC2MAPK1
SCHEMBL3682239 0.86 CA2 (0.74) CA2CA1ZDHHC7BIRC2MAPK1
SCHEMBL29152695 0.86 CA2 (0.74) CA2CA1ZDHHC7BIRC2MAPK1
SCHEMBL3682221 0.86 CA2 (0.74) CA2CA1ZDHHC7BIRC2MAPK1
SCHEMBL3677110 0.86 CA2 (0.74) CA2CA1ZDHHC7BIRC2MAPK1
SCHEMBL28254433 0.86 CA2 (0.74) CA2CA1ZDHHC7BIRC2MAPK1
SCHEMBL21052368 0.86 CA2 (0.80) CA2CA1ZDHHC7BIRC2MAPK1

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-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-06-02 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-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR0B1, CYP7A1 CA2 4658/4885CA1 3993/4885CPB2 536/4885

“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.