SCHEMBL5402003

SCHEMBL5402003

CS(=O)(=O)OCCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ECE1 P42892 6/20 0.36
PKM P14618 1/20 0.36
AKR1C3 P42330 3/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CCR4 P51679 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 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
SCHEMBL5401998 1.00 LMNA (0.38) LMNAALDH1A1SMN1; SMN2ECE1PKM
SCHEMBL5399164 0.88 LMNA (0.40) LMNAALDH1A1SMN1; SMN2ECE1PKM
SCHEMBL5399163 0.88 LMNA (0.40) LMNAALDH1A1SMN1; SMN2ECE1PKM
SCHEMBL5416668 0.86 AKR1C3 (0.42) LMNAALDH1A1SMN1; SMN2ECE1PKM
SCHEMBL5416660 0.86 AKR1C3 (0.42) LMNAALDH1A1SMN1; SMN2ECE1PKM
SCHEMBL5409316 0.84 AKR1C3 (0.41) LMNAALDH1A1SMN1; SMN2ECE1PKM
SCHEMBL5405204 0.84 LMNA (0.40) LMNAALDH1A1SMN1; SMN2ECE1PKM
SCHEMBL5409323 0.84 AKR1C3 (0.41) LMNAALDH1A1SMN1; SMN2ECE1PKM
SCHEMBL7144950 0.82 AKR1C3 (0.42) LMNAALDH1A1SMN1; SMN2ECE1PKM
SCHEMBL7144954 0.82 AKR1C3 (0.42) LMNAALDH1A1SMN1; SMN2ECE1PKM

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 LMNA 4696/4885ALDH1A1 1186/4885SMN1; SMN2 3344/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 LMNA 4696/4885ALDH1A1 1186/4885SMN1; SMN2 3344/4885
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 LMNA 4507/4885ALDH1A1 2463/4885SMN1; SMN2 3121/4885

“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.