Sugi Predict

Sugi Predict / Compounds / SCHEMBL5420104

SCHEMBL5420104

SCHEMBL5420104

O=C(O)c1cccc(COC[C@@H]2C[C@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 4/20 0.45
▸ ECE1 P42892 7/20 0.45
▸ MME P08473 2/20 0.45
▸ ACE P12821 2/20 0.45
▸ SLC16A3 O15427 1/20 0.42
▸ EIF2AK3 Q9NZJ5 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ CCR4 P51679 2/20 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
SCHEMBL5420109 1.00 MRGPRX4 (0.45) MRGPRX4ECE1MMEACESLC16A3
SCHEMBL5409480 0.91 ECE1 (0.51) MRGPRX4ECE1MMEACEEIF2AK3
SCHEMBL5399084 0.91 ECE1 (0.51) MRGPRX4ECE1MMEACEEIF2AK3
SCHEMBL5399088 0.91 ECE1 (0.51) MRGPRX4ECE1MMEACEEIF2AK3
SCHEMBL5410253 0.90 ECE1 (0.48) ECE1MMEACEAKR1C3CCR4
SCHEMBL5399015 0.90 ECE1 (0.48) ECE1MMEACEAKR1C3CCR4
SCHEMBL5414121 0.81 MAPT (0.43) MRGPRX4ECE1MMEACE
SCHEMBL7137502 0.81 ECE1 (0.45) ECE1MMEACEAKR1C3CCR4
SCHEMBL5405228 0.81 ECE1 (0.45) ECE1MMEACEAKR1C3CCR4
SCHEMBL5399408 0.81 ECE1 (0.45) ECE1MMEACEAKR1C3CCR4

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 5 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
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 — — 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 (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 MRGPRX4 1787/4885ECE1 4/4885MME 100/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 MRGPRX4 1787/4885ECE1 4/4885MME 100/4885
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 MRGPRX4 3718/4885ECE1 33/4885MME 44/4885

“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.