SCHEMBL23717403

SCHEMBL23717403

CCCC(CC)N1C(=O)O[C@H](c2cnn(C)c2)[C@@H]1C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL20780459 0.81 HRH3 (0.40) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL13547525 0.76 CETP (0.35) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL15743988 0.75 HDAC3 (0.40) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL13394969 0.70 HDAC3 (0.34) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL12696851 0.64 AURKA (0.37) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL22222392 0.64 MAPK1 (0.30)
SCHEMBL23846732 0.62
SCHEMBL23961382 0.62 HDAC3 (0.35) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL22222484 0.62 IDH1 (0.37)
SCHEMBL23846692 0.61 ADORA2B (0.33)

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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 JAK2 3874/4885JAK1 3461/4885TYK2 4284/4885

“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.