SCHEMBL5401348

SCHEMBL5401348

CCOC(=O)C=C[C@@H]1C[C@@H](SCc2ccc(OC)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
KDM1A O60341 1/20 0.35
BMP1 P13497 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GPR119 Q8TDV5 1/20 0.34
MAPK1 P28482 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
SCHEMBL5401344 1.00 HTRA1 (0.37) HTRA1DPP4DPP7ALDH1A1KDM4E
SCHEMBL7145127 1.00 HTRA1 (0.37) HTRA1DPP4DPP7ALDH1A1KDM4E
SCHEMBL5414235 0.85 DPP4 (0.43) HTRA1DPP4DPP7ALDH1A1HPGD
SCHEMBL9202881 0.82 HTRA1 (0.42) HTRA1DPP4DPP7ALDH1A1HPGD
SCHEMBL6942572 0.82 HTRA1 (0.42) HTRA1DPP4DPP7ALDH1A1HPGD
SCHEMBL8104670 0.81 GAA (0.41) ALDH1A1HPGDL3MBTL1LMNAGAA
SCHEMBL8104678 0.81 GAA (0.41) ALDH1A1HPGDL3MBTL1LMNAGAA
SCHEMBL8435103 0.78 HTRA1 (0.44) HTRA1DPP4DPP7ALDH1A1HPGD
SCHEMBL5405039 0.78 HTRA1 (0.44) HTRA1DPP4DPP7ALDH1A1HPGD
SCHEMBL5412651 0.78 DPP4 (0.41) HTRA1DPP4DPP7ALDH1A1HPGD

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 9 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-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-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 HTRA1 374/4885DPP4 80/4885DPP7 57/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 HTRA1 374/4885DPP4 80/4885DPP7 57/4885
US-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP HTRA1 477/4885DPP4 42/4885DPP7 21/4885
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 HTRA1 320/4885DPP4 95/4885DPP7 86/4885

“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.