SCHEMBL8216780

SCHEMBL8216780

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 4/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.41
HTT P42858 2/20 0.41
EPHX2 P34913 1/20 0.41
CYP2D6 P10635 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.40
PREP P48147 1/20 0.40
POLB P06746 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
SCHEMBL8214183 0.90 EPHX2 (0.41) MAPTALDH1A1EPHX2LMNAPREP
SCHEMBL8214083 0.90 LMNA (0.47) MAPTCYP2C19L3MBTL1ALDH1A1HTT
SCHEMBL8216785 0.88 POLB (0.50) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL8218681 0.88 AKR1C3 (0.51) MAPTGAAALDH1A1LMNAPREP
SCHEMBL8214179 0.86 PREP (0.39) MAPTEPHX2PREP
SCHEMBL8218638 0.84 PREP (0.45) CYP2C19L3MBTL1KMT2AGAAALDH1A1
SCHEMBL8214993 0.83 PREP (0.39) CYP3A4CYP2C19CYP2D6PREP
SCHEMBL13347220 0.82 EPHX2 (0.40) MAPTEPHX2PREPPOLB
SCHEMBL8288233 0.82 DPP4 (0.46) CYP2C19L3MBTL1ALDH1A1HTTLMNA
SCHEMBL8206497 0.82 AKR1C3 (0.48) GAAALDH1A1LMNAPREP

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-7825139-B2 Compounds and methods for selective inhibition of dipeptidyl peptidase-IV Forest Laboratories Holdings Limited (BM) 2010-11-02 US disclosed
US-7825139-B2 Compounds and methods for selective inhibition of dipeptidyl peptidase-IV Forest Laboratories Holdings Limited (BM) 2010-11-02 US disclosed
US-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV Forest Laboratories Holding Limited (BM) 2006-12-07 US disclosed
US-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV Forest Laboratories Holding Limited (BM) 2006-12-07 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 (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-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP3, DPP7 MAPT 3225/4885CYP3A4 195/4885CYP2C19 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.