SCHEMBL23819397

SCHEMBL23819397

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C=O)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.55
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
CTSK P43235 2/20 0.44
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP2C9 P11712 1/20 0.40
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.40
DRD2 P14416 2/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
JAK1 P23458 3/20 0.38
JAK2 O60674 1/20 0.37

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
SCHEMBL3901035 1.00 BTK (0.55) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL13639056 1.00 BTK (0.55) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL15584728 1.00 BTK (0.55) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL14941189 1.00 BTK (0.55) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL25516662 0.91 BTK (0.64) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL30484368 0.91 BTK (0.64) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL14941235 0.91 BTK (0.64) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL26451532 0.91 BTK (0.64) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL26451535 0.91 BTK (0.64) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL2963241 0.90 BTK (0.50) BTKKDM1AMAOBCTSKNFKB1

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-20210284637-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME ACLARIS THERAPEUTICS, INC. 2021-09-16 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-20210284637-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME JAK3, JAK1, JAK2 BTK 237/4885KDM1A 467/4885MAOB 2238/4885

“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.