SCHEMBL13347239

SCHEMBL13347239

O=C([C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1)N1CCC[C@H]1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.50
FAP Q12884 2/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP9 Q86TI2 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.42
TRPV4 Q9HBA0 2/20 0.41
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR6 P51684 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C3 P42330 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8288248 0.88 MEN1 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL13347236 0.87 DPP4 (0.53) DPP4FAPDPP8DPP9DPP7
SCHEMBL8288240 0.87 DPP4 (0.55) DPP4FAPDPP8DPP9DPP7
SCHEMBL13347238 0.84 DPP4 (0.49) DPP4FAPDPP8DPP9DPP7
SCHEMBL13371729 0.81 EPHX2 (0.42) GAAEPHX2TRPV4HSD11B1ALDH1A1
SCHEMBL13452790 0.81 ALDH1A1 (0.44) GAAEPHX2TRPV4HSD11B1ALDH1A1
SCHEMBL13347237 0.79 DPP4 (0.50) DPP4FAPDPP8DPP9DPP7
SCHEMBL13347235 0.77 DPP4 (0.64) DPP4FAPDPP8DPP9DPP7
SCHEMBL4041537 0.72 LMNA (0.53) GAAEPHX2HSD11B1ALDH1A1MEN1
SCHEMBL13997348 0.72 LMNA (0.48) GAAALDH1A1KMT2AL3MBTL1

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
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-7674913-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2010-03-09 US disclosed
US-20070185061-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 2007-08-09 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 269/4885DPP8 4/4885
US-20070185061-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 209/4885DPP8 4/4885
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS DPP4, DPP7, DPP3 DPP4 1/4885FAP 238/4885DPP8 4/4885

“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.