SCHEMBL12401136

SCHEMBL12401136

CC(C)(C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.74
AKR1C1 Q04828 2/20 0.74
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.60
PPARG P37231 1/20 0.60
PPARD Q03181 1/20 0.60
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL14943437 0.86 AKR1C3 (0.79) AKR1C3AKR1C1MAPTLMNAMEN1
SCHEMBL30819658 0.85 AKR1C3 (1.00) AKR1C3AKR1C1MEN1KMT2AALDH1A1
SCHEMBL2011206 0.85 AKR1C3 (1.00) AKR1C3AKR1C1MEN1KMT2AALDH1A1
SCHEMBL693455 0.76 KMT2A (1.00) AKR1C3AKR1C1MAPTMEN1KMT2A
SCHEMBL21067755 0.75 PPARG (1.00) AKR1C3AKR1C1MEN1KMT2APPARG
Thiophene Carboxylic Acid SCHEMBL29135076 0.73 AKR1C3 (0.77) AKR1C3AKR1C1MAPTLMNAMEN1
SCHEMBL6445534 0.73 MEN1 (0.78) AKR1C3AKR1C1MEN1KMT2AALDH1A1
SCHEMBL14045723 0.73 MEN1 (0.65) AKR1C3AKR1C1MAPTLMNAMEN1
SCHEMBL23081190 0.72 AKR1C3 (0.78) AKR1C3AKR1C1MAPTMEN1KMT2A
SCHEMBL21563865 0.72 AKR1C3 (0.76) AKR1C3AKR1C1MAPTLMNAMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (4 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 AKR1C3 2474/4885AKR1C1 2859/4885MAPT 2629/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 AKR1C3 2474/4885AKR1C1 2859/4885MAPT 2629/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 AKR1C3 1370/4885AKR1C1 2247/4885MAPT 3914/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 AKR1C3 2282/4885AKR1C1 2653/4885MAPT 2613/4885

“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.