SCHEMBL8288249

SCHEMBL8288249

CN1CCN(S(=O)(=O)c2ccc(F)cc2F)C[C@H]1C(=O)N1CCC[C@H]1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
PREP P48147 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FAP Q12884 3/20 0.38
PKM P14618 2/20 0.37
PKLR P30613 1/20 0.37
DPP4 P27487 4/20 0.37
AKR1C3 P42330 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
DPP7 Q9UHL4 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CYP19A1 P11511 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL13372095 0.89 PREP (0.37) ALDH1A1MAPTPREPSMN1; SMN2FAP
SCHEMBL13347237 0.82 DPP4 (0.50) ALDH1A1MAPTPREPSMN1; SMN2FAP
SCHEMBL8214179 0.81 PREP (0.39) MAPTPREPSMN1; SMN2FAPPKM
SCHEMBL8285598 0.80 KMT2A (0.47) ALDH1A1MAPT
SCHEMBL13452746 0.79 POLB (0.41) ALDH1A1MAPTPREPFAPDPP4
SCHEMBL13452790 0.78 ALDH1A1 (0.44) ALDH1A1EPHX2
SCHEMBL13452587 0.77 DPP4 (0.46) PREPFAPDPP4DPP7DPP8
SCHEMBL8214993 0.70 PREP (0.39) PREPFAPDPP4AKR1C3DPP7
SCHEMBL8218638 0.69 PREP (0.45) ALDH1A1PREPFAPDPP4TSHR
SCHEMBL13371993 0.69 KMT2A (0.47) ALDH1A1MAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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 ALDH1A1 1316/4885MAPT 4848/4885PREP 118/4885

“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.