SCHEMBL3702157

SCHEMBL3702157

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.61
CTSK P43235 2/20 0.56
KDM1A O60341 1/20 0.55
MAOB P27338 1/20 0.55
GAA P10253 2/20 0.54
EPHX1 P07099 1/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
DRD2 P14416 2/20 0.48
EPHX2 P34913 1/20 0.47
CYP2C9 P11712 1/20 0.46
HSD11B1 P28845 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10343938 1.00 BTK (0.61) BTKCTSKKDM1AMAOBGAA
SCHEMBL3702152 1.00 BTK (0.61) BTKCTSKKDM1AMAOBGAA
SCHEMBL1406894 1.00 BTK (0.61) BTKCTSKKDM1AMAOBGAA
Methyl Alcohol SCHEMBL28082230 0.98 BTK (0.59) BTKCTSKKDM1AMAOBGAA
Bicarbonate SCHEMBL187492 0.96 BTK (0.62) BTKCTSKKDM1AMAOBGAA
SCHEMBL28019743 0.94 KDM1A (0.58) BTKCTSKKDM1AMAOBGAA
SCHEMBL10156278 0.94 EPHX1 (0.57) BTKCTSKKDM1AMAOBGAA
SCHEMBL28616805 0.94 KDM1A (0.58) BTKCTSKKDM1AMAOBGAA
SCHEMBL22998960 0.92 BTK (0.58) BTKCTSKKDM1AMAOBGAA
SCHEMBL1204562 0.92 BTK (0.54) BTKCTSKKDM1AMAOBGAA

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-20120122923-A1 DUAL MOLECULES CONTAINING A PEROXIDE DERIVATIVE, THEIR SYNTHESIS AND THERAPEUTIC USES SANOFI-AVENTIS (FR) 2012-05-17 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-20120122923-A1 DUAL MOLECULES CONTAINING A PEROXIDE DERIVATIVE, THEIR SYNTHESIS AND THERAPEUTIC USES DUOX2, DUOX1, CYP11B2 BTK 1238/4885CTSK 1263/4885KDM1A 3900/4885

“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.