SCHEMBL22482033

SCHEMBL22482033

CC(C)(C)OC(=O)N(CCCC(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.43
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CPB2 Q96IY4 8/20 0.33
AAK1 Q2M2I8 1/20 0.33
CTSK P43235 3/20 0.31
DGAT1 O75907 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 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
SCHEMBL18767370 0.84 CA14 (0.42) CA14HDAC6HDAC1HDAC2AAK1
SCHEMBL137000 0.82 HDAC6 (0.46) CA14HDAC6HDAC1HDAC2CPB2
SCHEMBL3750504 0.81 CA14 (0.41) CA14HDAC6HDAC1HDAC2CPB2
SCHEMBL10657115 0.80 CA14 (0.38) CA14HDAC6HDAC1HDAC2CPB2
SCHEMBL21651913 0.79 CA12 (0.40) CA14HDAC6HDAC1HDAC2CPB2
SCHEMBL3750380 0.79 TDP1 (0.43) CA14HDAC6HDAC1HDAC2CPB2
SCHEMBL3747931 0.78 CA14 (0.40) CA14HDAC6HDAC1HDAC2CPB2
SCHEMBL23288787 0.77 HDAC6 (0.39) CA14HDAC6HDAC1HDAC2CPB2
SCHEMBL3882477 0.77 HDAC6 (0.39) CA14HDAC6HDAC1HDAC2CPB2
SCHEMBL14396847 0.77 CA14 (0.41) CA14HDAC6HDAC1HDAC2CPB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 WO 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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 CA14 4487/4885HDAC6 247/4885HDAC1 431/4885

“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.