SCHEMBL5407300

SCHEMBL5407300

O=C(O)c1ccc(C(=O)NC(C2CC(S)CN2)S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 7/20 0.42
SLC16A3 O15427 4/20 0.39
CA2 P00918 1/20 0.39
GSK3B P49841 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MCL1 Q07820 1/20 0.36
AKR1C3 P42330 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PKM P14618 1/20 0.35
GPR27 Q9NS67 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
SCHEMBL7137244 1.00 KAT6A (0.42) KAT6ASLC16A3CA2GSK3BKEAP1
SCHEMBL7141030 0.95 KAT6A (0.46) KAT6ACA2AKR1C3LMNASMN1; SMN2
SCHEMBL5399404 0.95 KAT6A (0.46) KAT6ACA2AKR1C3LMNASMN1; SMN2
SCHEMBL7140420 0.90 PLAU (0.44) KAT6ACA2LMNASMN1; SMN2PKM
SCHEMBL7148694 0.85 PKM (0.37) KAT6ALMNASMN1; SMN2PKM
SCHEMBL5422442 0.85 PKM (0.37) KAT6ALMNASMN1; SMN2PKM
SCHEMBL7145132 0.79 L3MBTL1 (0.37) LMNAPKM
SCHEMBL5409515 0.79 L3MBTL1 (0.37) LMNAPKM
SCHEMBL5413603 0.75 KAT6A (0.41) KAT6ALMNASMN1; SMN2PKM
SCHEMBL7146277 0.75 ACACB (0.47) KAT6ACA2

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 KAT6A 3705/4885SLC16A3 719/4885CA2 619/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 KAT6A 3705/4885SLC16A3 719/4885CA2 619/4885
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 KAT6A 3058/4885SLC16A3 773/4885CA2 195/4885

“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.