SCHEMBL3621440

SCHEMBL3621440

CC(C)(C)OC(=O)NC1CN(C(=O)O)CC1OS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PDE4B Q07343 3/20 0.35
BTK Q06187 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
KDM1A O60341 2/20 0.33
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL21052130 0.90 PDE4B (0.44) CTSKCA1CA2PDE4BMAOB
SCHEMBL21052129 0.90 PDE4B (0.44) CTSKCA1CA2PDE4BMAOB
SCHEMBL459488 0.90 PDE4B (0.44) CTSKCA1CA2PDE4BMAOB
SCHEMBL1710330 0.89 CTSK (0.39) CTSKCA1CA2PDE4BBTK
SCHEMBL20722717 0.83 CTSK (0.39) CTSKCA1CA2PDE4BBTK
SCHEMBL5132958 0.83 CTSK (0.39) CTSKCA1CA2PDE4BBTK
SCHEMBL29286133 0.83 CTSK (0.39) CTSKCA1CA2PDE4BBTK
SCHEMBL21092354 0.81 PDE4B (0.38) PDE4BMAOBMAOAUSP30
SCHEMBL20722909 0.80 CTSK (0.39) CTSKCA1CA2PDE4BBTK
SCHEMBL20722571 0.80 CTSK (0.36) CTSKCA1CA2PDE4BBTK

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
EP-1978804-B1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2014-07-30 EP disclosed
US-7750034-B2 Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. (US) 2009-10-29 US disclosed
EP-1978804-A2 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2008-10-15 EP disclosed
WO-2007087231-A2 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-08-02 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-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 CTSK 713/4885CA1 1245/4885CA2 465/4885

“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.