SCHEMBL5409834

SCHEMBL5409834

COc1ccc(CS[C@@H]2C[C@@H](CCC(=O)N(C)OC)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 3/20 0.38
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
CCR3 P51677 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HPGD P15428 1/20 0.33
ALOX5 P09917 1/20 0.33
GHSR Q92847 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 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
SCHEMBL5402156 0.87 HTRA1 (0.40) HTRA1DPP4DPP7KDM1AALDH1A1
SCHEMBL9201438 0.84 HTRA1 (0.39) HTRA1DPP4DPP7KDM1AALDH1A1
SCHEMBL5407051 0.84 HTRA1 (0.39) HTRA1DPP4DPP7KDM1AALDH1A1
SCHEMBL9202977 0.83 DPP4 (0.41) HTRA1DPP4DPP7KDM1AALDH1A1
SCHEMBL5412651 0.83 DPP4 (0.41) HTRA1DPP4DPP7KDM1AALDH1A1
SCHEMBL5406518 0.83 HTRA1 (0.42) HTRA1DPP4DPP7KDM1AALDH1A1
SCHEMBL7144450 0.83 HTRA1 (0.42) HTRA1DPP4DPP7KDM1AALDH1A1
SCHEMBL9202164 0.82 DPP4 (0.43) HTRA1DPP4DPP7KDM1AALDH1A1
SCHEMBL5401313 0.82 RAB9A (0.39) HTRA1DPP4DPP7KMT2ALMNA
SCHEMBL5410375 0.81 HTRA1 (0.34) HTRA1DPP4DPP7ALDH1A1KMT2A

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 7 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-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 (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 HTRA1 374/4885DPP4 80/4885DPP7 57/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 HTRA1 374/4885DPP4 80/4885DPP7 57/4885
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.