SCHEMBL25453637

SCHEMBL25453637

CC(C)NC(COC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ CTSK P43235 5/20 0.37
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ NPR3 P17342 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL19546255 0.81 MAPK1 (0.43) MAPK1CTSKGRNSORT1NPR3
SCHEMBL19764839 0.81 CTSK (0.39) CTSKTDP1POLBNPSR1CA1
SCHEMBL27437691 0.81 MAPK1 (0.43) MAPK1CTSKGRNSORT1NPR3
SCHEMBL13707884 0.80 MAPK1 (0.42) MAPK1CTSKGRNSORT1TDP1
SCHEMBL13707916 0.80 MAPK1 (0.42) MAPK1CTSKGRNSORT1TDP1
SCHEMBL22262968 0.80 MAPK1 (0.38) MAPK1CTSKGRNSORT1TDP1
SCHEMBL13993198 0.80 GRN (0.43) MAPK1CTSKGRNSORT1TDP1
SCHEMBL23051872 0.79 CTSK (0.38) MAPK1CTSKGRNSORT1TDP1
SCHEMBL25455581 0.79 MAPK1 (0.36) MAPK1CTSKGRNSORT1TDP1
SCHEMBL25453619 0.79 CYP2D6 (0.44) CTSKTDP1POLBNPSR1CA1

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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 — — 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE MAPK1 1578/4885CTSK 371/4885GRN 4196/4885

“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.

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