SCHEMBL17437664

SCHEMBL17437664

CN(C)C(=O)C1CCC(OS(C)(=O)=O)C(NS(=O)(=O)NC(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CA2 P00918 1/20 0.34
CA1 P00915 2/20 0.32
CA7 P43166 2/20 0.32
BRS3 P32247 1/20 0.32
BTK Q06187 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL17437659 1.00 CA12 (0.36) CA12CA14CA2CA1CA7
SCHEMBL17437662 1.00 CA12 (0.36) CA12CA14CA2CA1CA7
SCHEMBL17489593 0.89 CA12 (0.40) CA12CA14CA2CA1CA7
SCHEMBL10015600 0.89 BTK (0.39) BTKGAAL3MBTL1
SCHEMBL17449867 0.86 CA12 (0.40) CA12CA14CA2CA1CA7
SCHEMBL17437671 0.83 CYP3A4 (0.37) CA12CA14CA2CA1CA7
SCHEMBL17437672 0.83 CYP3A4 (0.37) CA12CA14CA2CA1CA7
SCHEMBL17437673 0.83 CYP3A4 (0.37) CA12CA14CA2CA1CA7
SCHEMBL16664800 0.80 BTK (0.37) BTK
SCHEMBL10063105 0.79 MAOB (0.42) CA12CA14CA1CA7BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019004114-A1 PRODUCTION METHOD FOR DIAMINE DERIVATIVE BY FLOW SYNTHESIS 第一三共株式会社 2019-01-03 WO disclosed
EP-2980067-B1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2017-05-17 EP disclosed
US-9447118-B2 Preparation method of optically active diamine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-20 US disclosed
EP-2980067-A1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-03 EP disclosed
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-21 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-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND F12, F8, F11 CA12 2520/4885CA14 1145/4885CA2 1216/4885

“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.