SCHEMBL8287972

SCHEMBL8287972

O=C(CNC1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCC[C@H]1B(O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.59
FAP Q12884 15/20 0.59
DPP7 Q9UHL4 8/20 0.59
PREP P48147 7/20 0.54
DPP8 Q6V1X1 3/20 0.50
DPP9 Q86TI2 3/20 0.50
CYP2C19 P33261 1/20 0.45

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
SCHEMBL13417252 1.00 DPP4 (0.59) DPP4FAPDPP7PREPDPP8
SCHEMBL13347161 0.96 DPP4 (0.57) DPP4FAPDPP7PREPDPP8
SCHEMBL13347154 0.96 DPP4 (0.57) DPP4FAPDPP7PREPDPP8
SCHEMBL13347178 0.90 DPP4 (0.62) DPP4FAPDPP7PREPDPP8
SCHEMBL13347253 0.82 DPP4 (0.67) DPP4FAPDPP7PREPDPP8
SCHEMBL13347187 0.79 FAP (0.62) DPP4FAPDPP7PREPDPP8
SCHEMBL13347185 0.79 FAP (0.62) DPP4FAPDPP7PREPDPP8
SCHEMBL14012466 0.78 DPP4 (0.67) DPP4FAPDPP7PREPDPP8
SCHEMBL7899625 0.77 DPP4 (0.62) DPP4FAPDPP7PREPDPP8
SCHEMBL8287844 0.77 FAP (0.62) DPP4FAPDPP7PREPDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689757-B1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORP (US) 2014-08-27 EP disclosed
US-8415295-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2013-04-09 US disclosed
US-8415295-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2013-04-09 US disclosed
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2010-05-13 US disclosed
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2010-05-13 US disclosed
US-7674913-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2010-03-09 US disclosed
US-7674913-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2010-03-09 US disclosed
US-20070060547-A1 (2R)-1-{2-[(3R)-pyrrolidin-3-ylamino]-acetyl}-pyrrolidine-2-boronic acid; Dipeptidyl peptidase IV (DPP-IV) inhibitors; diabetes, hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis PHENOMIX CORPORATION 2007-03-15 US disclosed
US-20070060547-A1 (2R)-1-{2-[(3R)-pyrrolidin-3-ylamino]-acetyl}-pyrrolidine-2-boronic acid; Dipeptidyl peptidase IV (DPP-IV) inhibitors; diabetes, hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis PHENOMIX CORPORATION 2007-03-15 US disclosed
WO-2005047297-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2005-05-26 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 (2 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-20070060547-A1 (2R)-1-{2-[(3R)-pyrrolidin-3-ylamino]-acetyl}-pyrrolidine-2-boronic acid; Dipeptidyl peptidase IV (DPP-IV) inhibitors; diabetes, hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis DPP4, DPP7, DPP3 DPP4 1/4885FAP 269/4885DPP7 2/4885
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS DPP4, DPP7, DPP3 DPP4 1/4885FAP 238/4885DPP7 2/4885

“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.