SCHEMBL5399404

SCHEMBL5399404

O=C(NC(C1CC(S)CN1)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 14/20 0.46
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 1/20 0.39
PKM P14618 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7141030 1.00 KAT6A (0.46) KAT6ALMNASMN1; SMN2CA2PKM
SCHEMBL5407300 0.95 KAT6A (0.42) KAT6ALMNASMN1; SMN2CA2PKM
SCHEMBL7137244 0.95 KAT6A (0.42) KAT6ALMNASMN1; SMN2CA2PKM
SCHEMBL7140420 0.91 PLAU (0.44) KAT6ALMNASMN1; SMN2CA2PKM
SCHEMBL7148694 0.88 PKM (0.37) KAT6ALMNASMN1; SMN2PKMCYP1A2
SCHEMBL5422442 0.88 PKM (0.37) KAT6ALMNASMN1; SMN2PKMCYP1A2
SCHEMBL7145132 0.81 L3MBTL1 (0.37) LMNAPKMCYP1A2CYP3A4CYP2C9
SCHEMBL5409515 0.81 L3MBTL1 (0.37) LMNAPKMCYP1A2CYP3A4CYP2C9
SCHEMBL5413603 0.78 KAT6A (0.41) KAT6ALMNASMN1; SMN2PKMCYP1A2
SCHEMBL5420093 0.78 ACACB (0.47) KAT6ACA2CYP1A2CYP3A4CYP2C9

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 3705/4885LMNA 4696/4885SMN1; SMN2 3344/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 KAT6A 3705/4885LMNA 4696/4885SMN1; 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 KAT6A 3058/4885LMNA 4507/4885SMN1; 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.