SCHEMBL8206497

SCHEMBL8206497

N[C@@H]1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C[C@H]1C(=O)N1CCC[C@H]1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.48
AKR1C1 Q04828 2/20 0.48
CNR1 P21554 1/20 0.48
BCL9 O00512 3/20 0.43
CTNNB1 P35222 3/20 0.43
DPP4 P27487 2/20 0.41
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAP Q12884 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
PREP P48147 1/20 0.38

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
SCHEMBL8218681 0.92 AKR1C3 (0.51) AKR1C3AKR1C1DPP4LMNASMN1; SMN2
SCHEMBL8214083 0.91 LMNA (0.47) AKR1C3AKR1C1DPP4LMNASMN1; SMN2
SCHEMBL8216785 0.88 POLB (0.50) AKR1C3LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8288233 0.84 DPP4 (0.46) AKR1C3AKR1C1DPP4LMNASMN1; SMN2
SCHEMBL8214183 0.82 EPHX2 (0.41) AKR1C3AKR1C1DPP4LMNASMN1; SMN2
SCHEMBL8216780 0.82 MAPT (0.52) LMNAALDH1A1GAAPREP
SCHEMBL8218638 0.80 PREP (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL8218676 0.79 AKR1C3 (0.55) AKR1C3AKR1C1LMNAALDH1A1USP2
SCHEMBL16104911 0.77 LMNA (0.48) AKR1C3AKR1C1LMNASMN1; SMN2ALDH1A1
SCHEMBL8214993 0.77 PREP (0.39) AKR1C3DPP4FAPDPP8DPP9

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 AKR1C3 905/4885AKR1C1 1170/4885CNR1 4057/4885

“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.