Sugi Predict

Sugi Predict / Compounds / SCHEMBL5409304

SCHEMBL5409304

SCHEMBL5409304

CS(=O)(=O)N1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ SLC6A1 P30531 1/20 0.34
▸ SLC6A11 P48066 1/20 0.34
▸ KIF11 P52732 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ AGTR2 P50052 3/20 0.33
▸ ACE P12821 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ECE1 P42892 1/20 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
SCHEMBL6980489 1.00 CA12 (0.38) CA12MMP2MMP9SLC6A1SLC6A11
SCHEMBL7145187 0.88 MMP2 (0.41) CA12MMP2MMP9KMT2A
SCHEMBL7145191 0.88 MMP2 (0.41) CA12MMP2MMP9KMT2A
SCHEMBL5409486 0.88 MMP2 (0.41) CA12MMP2MMP9KMT2A
SCHEMBL5409431 0.84 NPSR1 (0.36) CA12MMP2MMP9KIF11ECE1
SCHEMBL5409437 0.84 NPSR1 (0.36) CA12MMP2MMP9KIF11ECE1
SCHEMBL7135112 0.82 CA12 (0.32) CA12MMP2MMP9KIF11ECE1
SCHEMBL7135113 0.82 CA12 (0.32) CA12MMP2MMP9KIF11ECE1
SCHEMBL7138136 0.81 KIF11 (0.34) CA12MMP2MMP9SLC6A1SLC6A11
SCHEMBL7150563 0.81 KIF11 (0.34) CA12MMP2MMP9SLC6A1SLC6A11

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 16 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
EP-1317428-B1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2006-04-19 — — EP 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-1317428-A1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 — — EP disclosed
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 — — US disclosed
US-6444829-B1 (2S,4R)-4-MERCAPTO-1-(NAPHTHALENE-2-SULFONYL)-PYRROLIDINE-2 -CARBOXYLIC ACID N'-ISOBUTYL-N'-(4-METHYL-BENZENESULFONYL)-HYDRAZIDE, FOR EXAMPLE; INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; VASODILATORS HOFFMANN-LA ROCHE INC. 2002-09-03 — — US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 — — US disclosed
US-20020040048-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2002-04-04 — — US 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
WO-2002006224-A1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — WO disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — 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 (5 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 CA12 2354/4885MMP2 58/4885MMP9 35/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 CA12 2354/4885MMP2 58/4885MMP9 35/4885
US-20020040048-A1 PYRROLIDINE COMPOUNDS PREP, PEPD, MMP3 CA12 943/4885MMP2 45/4885MMP9 21/4885
US-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP CA12 1229/4885MMP2 43/4885MMP9 73/4885
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 CA12 478/4885MMP2 15/4885MMP9 7/4885

“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.