SCHEMBL978033

SCHEMBL978033

Nc1cccc(-c2ccccc2S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.59
FEN1 P39748 8/20 0.59
BRD4 O60885 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
PIK3CB P42338 1/20 0.48
PRKDC P78527 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
FABP1 P07148 1/20 0.46
USP2 O75604 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45

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
SCHEMBL29507905 0.76 PKM (0.66) MEN1POLBKMT2A
SCHEMBL856792 0.76 PKM (0.66) MEN1POLBKMT2A
SCHEMBL2062548 0.75 POLB (0.53) ALOX5APFEN1MEN1POLBGAA
SCHEMBL30397969 0.75 POLB (0.53) ALOX5APFEN1MEN1POLBGAA
SCHEMBL15915355 0.75 ALOX5AP (1.00) ALOX5APFEN1
SCHEMBL4926176 0.75 MAOA (0.50) ALOX5APFEN1BRD4MEN1POLB
SCHEMBL15916100 0.74 ALOX5AP (1.00) ALOX5APFEN1
SCHEMBL6613230 0.74 CA1 (0.54) ALOX5APFEN1BRD4
SCHEMBL3953580 0.73 PRKDC (0.53) BRD4MEN1GAAKMT2APIK3CB
SCHEMBL15917196 0.73 ALOX5AP (1.00) ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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 (1 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 ALOX5AP 1578/4885FEN1 381/4885BRD4 912/4885

“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.