SCHEMBL3708596

SCHEMBL3708596

CC(C)(C)OC(=O)NC1CCC(NC(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.58
KDM1A O60341 1/20 0.54
MAOB P27338 1/20 0.54
CTSK P43235 2/20 0.50
GAA P10253 2/20 0.49
EPHX1 P07099 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
EPHX2 P34913 1/20 0.43
KCNA3 P22001 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3708594 1.00 BTK (0.58) BTKKDM1AMAOBCTSKGAA
SCHEMBL22998960 1.00 BTK (0.58) BTKKDM1AMAOBCTSKGAA
SCHEMBL3766173 0.93 BTK (0.64) BTKKDM1AMAOBCTSKGAA
SCHEMBL2722658 0.93 BTK (0.64) BTKKDM1AMAOBCTSKGAA
SCHEMBL29285124 0.93 BTK (0.64) BTKKDM1AMAOBCTSKGAA
SCHEMBL4204065 0.93 BTK (0.64) BTKKDM1AMAOBCTSKGAA
Bicarbonate SCHEMBL187492 0.92 BTK (0.62) BTKKDM1AMAOBCTSKGAA
SCHEMBL3702152 0.92 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL3702157 0.92 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL10343938 0.92 BTK (0.61) BTKKDM1AMAOBCTSKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107417549-A As LSD1 inhibitor(It is miscellaneous)Aryl cyclopropyl amines 奥莱松基因组股份有限公司 2017-12-01 CN disclosed
CN-103958474-B (hetero) arylcyclopropylamine compounds as LSD1 inhibitors 奥莱松基因组股份有限公司 2017-03-08 CN disclosed
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 1238/4885KDM1A 3900/4885MAOB 58/4885

“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.