Sugi Predict

Sugi Predict / Compounds / SCHEMBL5407129

SCHEMBL5407129

SCHEMBL5407129

CC(C)(C)OC(=O)N1C[C@@H](Cl)C[C@H]1COCc1cc(F)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.47
▸ DPP4 P27487 3/20 0.43
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ CYP2D6 P10635 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HDAC8 Q9BY41 2/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SRC P12931 3/20 0.32

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
SCHEMBL5404207 0.88 ECE1 (0.47) ECE1DPP4NR1H2NR1H3CYP2D6
SCHEMBL5405247 0.85 ECE1 (0.64) ECE1DPP4NR1H2NR1H3CYP2D6
SCHEMBL5399113 0.81 DPP4 (0.43) ECE1DPP4NR1H2NR1H3CYP2D6
SCHEMBL5404278 0.81 ECE1 (0.51) ECE1DPP4NR1H2NR1H3SRC
SCHEMBL343021 0.80 DPP4 (0.51) ECE1DPP4NR1H2NR1H3CYP2D6
SCHEMBL343020 0.80 DPP4 (0.51) ECE1DPP4NR1H2NR1H3CYP2D6
SCHEMBL5409177 0.79 DPP4 (0.41) ECE1DPP4NR1H2NR1H3CYP2D6
SCHEMBL5422679 0.79 DPP4 (0.41) ECE1DPP4NR1H2NR1H3CYP2D6
SCHEMBL5404991 0.78 DPP4 (0.40) ECE1DPP4NR1H2NR1H3CYP2D6
SCHEMBL5412966 0.78 ECE1 (0.42) ECE1DPP4NR1H2NR1H3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189756-B2 Pyrrolidine derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 — — US disclosed
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia AEBI JOHANNES (CH) 2004-12-02 — — US disclosed
US-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 — — US disclosed
US-20030199569-A1 Pyrrolidine derivatives AEBI JOHANNES (CH) 2003-10-23 — — US disclosed
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 — — US disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 — — 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 (3 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-20030199569-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885DPP4 80/4885NR1H2 3255/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885DPP4 80/4885NR1H2 3255/4885
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia MMP1, PEPD, MMP25 ECE1 33/4885DPP4 95/4885NR1H2 2699/4885

“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.