SCHEMBL8288245

SCHEMBL8288245

CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cl)[C@H](C(=O)N3CCC[C@H]3B(O)O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
DPP4 P27487 2/20 0.38
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
CYP19A1 P11511 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13452746 0.89 POLB (0.41) EPHX2DPP4PREPFAPCYP19A1
SCHEMBL8288247 0.84 DPP4 (0.45) DPP4PREPFAP
SCHEMBL13347236 0.80 DPP4 (0.53) EPHX2DPP4PREPFAPCYP19A1
SCHEMBL8214183 0.80 EPHX2 (0.41) EPHX2DPP4PREPFAPCYP19A1
SCHEMBL13372095 0.79 PREP (0.37) EPHX2DPP4PREPFAPALDH1A1
SCHEMBL13347220 0.78 EPHX2 (0.40) EPHX2DPP4PREPFAPCYP19A1
SCHEMBL13371993 0.78 KMT2A (0.47) POLBALDH1A1KMT2AHCRTR1MAPT
SCHEMBL13452790 0.77 ALDH1A1 (0.44) EPHX2POLBALDH1A1KMT2AHCRTR1
SCHEMBL13452587 0.71 DPP4 (0.46) DPP4PREPFAP
SCHEMBL8216780 0.69 MAPT (0.52) EPHX2PREPPOLBALDH1A1KMT2A

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 4 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-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
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-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 EPHX2 2867/4885DPP4 1/4885PREP 87/4885
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS DPP4, DPP7, DPP3 EPHX2 708/4885DPP4 1/4885PREP 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.