SCHEMBL5409737

SCHEMBL5409737

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.51
ANPEP P15144 5/20 0.51
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.38
ATM Q13315 1/20 0.36
CYP3A4 P08684 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL6968941 1.00 MMP2 (0.51) MMP2ANPEPALDH1A1TP53KMT2A
SCHEMBL12429341 1.00 MMP2 (0.51) MMP2ANPEPALDH1A1TP53KMT2A
SCHEMBL9737270 0.82 ALDH1A1 (0.47) MMP2ANPEPALDH1A1KMT2AMEN1
SCHEMBL16896672 0.80 ATM (0.52) MMP2ANPEPALDH1A1KMT2AMEN1
SCHEMBL5418223 0.76 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AMEN1
SCHEMBL9505317 0.76 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AMEN1
SCHEMBL5418227 0.76 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AMEN1
SCHEMBL17833288 0.76 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AMEN1
SCHEMBL21551113 0.75 KMT2A (0.64) MMP2ANPEPALDH1A1KMT2AMEN1
SCHEMBL2227030 0.75 KMT2A (0.64) MMP2ANPEPALDH1A1KMT2AMEN1

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 10 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
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

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 MMP2 58/4885ANPEP 51/4885ALDH1A1 1186/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 MMP2 58/4885ANPEP 51/4885ALDH1A1 1186/4885
US-20020040048-A1 PYRROLIDINE COMPOUNDS PREP, PEPD, MMP3 MMP2 45/4885ANPEP 59/4885ALDH1A1 684/4885
US-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP MMP2 43/4885ANPEP 66/4885ALDH1A1 767/4885
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 MMP2 15/4885ANPEP 67/4885ALDH1A1 2463/4885

“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.