SCHEMBL8288233

SCHEMBL8288233

N[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N1CCC[C@H]1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
FAP Q12884 5/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
PREP P48147 5/20 0.43
NPC1 O15118 1/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8214083 0.93 LMNA (0.47) DPP4LMNASMN1; SMN2FAPDPP8
SCHEMBL13347220 0.89 EPHX2 (0.40) DPP4FAPDPP8DPP9DPP7
SCHEMBL8218681 0.87 AKR1C3 (0.51) DPP4LMNASMN1; SMN2FAPDPP8
SCHEMBL8288238 0.87 ALDH1A1 (0.49) NPC1CYP2C19TSHRHTTALDH1A1
SCHEMBL8206497 0.84 AKR1C3 (0.48) DPP4LMNASMN1; SMN2FAPDPP8
SCHEMBL13347221 0.84 MEN1 (0.47) DPP4LMNASMN1; SMN2DPP7AKR1C3
SCHEMBL13347219 0.84 MEN1 (0.47) DPP4LMNASMN1; SMN2DPP7AKR1C3
SCHEMBL8216780 0.82 MAPT (0.52) LMNAPREPCYP2C19HTTALDH1A1
SCHEMBL8214183 0.82 EPHX2 (0.41) DPP4LMNASMN1; SMN2FAPDPP8
SCHEMBL8218676 0.81 AKR1C3 (0.55) LMNAAKR1C3AKR1C1TSHRALDH1A1

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 1/4885LMNA 2509/4885SMN1; SMN2 4419/4885
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS DPP4, DPP7, DPP3 DPP4 1/4885LMNA 2559/4885SMN1; SMN2 2291/4885

“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.