SCHEMBL8214993

SCHEMBL8214993

N[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@H]1C(=O)N1CCC[C@H]1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.39
DPP4 P27487 13/20 0.39
FAP Q12884 10/20 0.37
DPP8 Q6V1X1 7/20 0.37
DPP9 Q86TI2 7/20 0.37
DPP7 Q9UHL4 7/20 0.37
PITRM1 Q5JRX3 1/20 0.35
AKR1C3 P42330 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL8214179 0.89 PREP (0.39) PREPDPP4FAPDPP8DPP9
SCHEMBL8218638 0.87 PREP (0.45) PREPDPP4FAPDPP8DPP9
SCHEMBL8216780 0.83 MAPT (0.52) PREPCYP3A4CYP2D6CYP2C19
SCHEMBL8216785 0.82 POLB (0.50) PREPAKR1C3
SCHEMBL8214083 0.81 LMNA (0.47) PREPDPP4FAPDPP8DPP9
SCHEMBL8214183 0.79 EPHX2 (0.41) PREPDPP4FAPDPP8DPP9
SCHEMBL8214962 0.78 DPP4 (0.45) PREPDPP4FAPDPP8DPP9
SCHEMBL8218681 0.77 AKR1C3 (0.51) PREPDPP4FAPDPP8DPP9
SCHEMBL8206497 0.77 AKR1C3 (0.48) PREPDPP4FAPDPP8DPP9
SCHEMBL8214088 0.76 DPP4 (0.47) PREPDPP4FAPDPP8DPP9

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 PREP 10/4885DPP4 1/4885FAP 16/4885

“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.