Sugi Predict

Sugi Predict / Compounds / SCHEMBL5407226

SCHEMBL5407226

SCHEMBL5407226

COC(=O)[C@@H](OC[C@@H]1C[C@@H](S)CN1S(C)(=O)=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.36
▸ ECE1 P42892 1/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33

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
SCHEMBL5406305 1.00 KMT2A (0.36) KMT2AECE1MEN1LMNAALDH1A1
SCHEMBL5406301 1.00 KMT2A (0.36) KMT2AECE1MEN1LMNAALDH1A1
SCHEMBL5406528 0.82 KIF11 (0.34) KMT2AMEN1LMNAALDH1A1CYP2D6
SCHEMBL5406531 0.82 KIF11 (0.34) KMT2AMEN1LMNAALDH1A1CYP2D6
SCHEMBL5416677 0.76 POLB (0.30) —
SCHEMBL5415652 0.76 POLB (0.30) —
SCHEMBL7137605 0.76 ECE1 (0.42) ECE1MMP1
SCHEMBL5407509 0.76 ECE1 (0.42) ECE1MMP1
SCHEMBL5407088 0.74 ECE1 (0.35) ECE1MMP2CA12MMP9
SCHEMBL5407082 0.74 ECE1 (0.35) ECE1MMP2CA12MMP9

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 KMT2A 2324/4885ECE1 4/4885MEN1 3251/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 KMT2A 2324/4885ECE1 4/4885MEN1 3251/4885
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 KMT2A 1571/4885ECE1 33/4885MEN1 2874/4885

“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.