SCHEMBL5409515

SCHEMBL5409515

CS(=O)(=O)NC(C1CC(S)CN1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
PKM P14618 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
SLC6A9 P48067 1/20 0.35
ACE P12821 2/20 0.34
ECE1 P42892 2/20 0.34
MMP1 P03956 1/20 0.34
MMP7 P09237 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 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
SCHEMBL7145132 1.00 L3MBTL1 (0.37) L3MBTL1LMNAMCOLN3SLC6A2SLC6A4
SCHEMBL5413603 0.87 KAT6A (0.41) L3MBTL1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL5422442 0.85 PKM (0.37) L3MBTL1LMNAMCOLN3CYP1A2CYP3A4
SCHEMBL7148694 0.85 PKM (0.37) L3MBTL1LMNAMCOLN3CYP1A2CYP3A4
SCHEMBL5399404 0.81 KAT6A (0.46) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL7141030 0.81 KAT6A (0.46) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5407300 0.79 KAT6A (0.42) LMNAPKM
SCHEMBL7137244 0.79 KAT6A (0.42) LMNAPKM
SCHEMBL7140420 0.78 PLAU (0.44) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5420093 0.75 ACACB (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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 5 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
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 (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 L3MBTL1 3776/4885LMNA 4696/4885MCOLN3 4428/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 L3MBTL1 3776/4885LMNA 4696/4885MCOLN3 4428/4885
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 L3MBTL1 3755/4885LMNA 4507/4885MCOLN3 3987/4885

“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.