SCHEMBL2882872

SCHEMBL2882872

CCC(CC)(C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.41
NAAA Q02083 1/20 0.40
IL6ST P40189 1/20 0.39
PPARG P37231 2/20 0.38
FAAH O00519 1/20 0.38
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
HDAC1 Q13547 3/20 0.37
IDH1 O75874 7/20 0.37

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
SCHEMBL28545278 1.00 PPARA (0.41) PPARANAAAIL6STPPARGFAAH
SCHEMBL2883438 0.87 NAAA (0.42) PPARANAAAIL6STPPARGFAAH
SCHEMBL940114 0.82 NAAA (0.45) PPARANAAAIL6STPPARGFAAH
SCHEMBL940112 0.82 NAAA (0.45) PPARANAAAIL6STPPARGFAAH
SCHEMBL1625361 0.80 NAAA (0.44) PPARANAAAIL6STPPARGFAAH
SCHEMBL20236001 0.80 NAAA (0.44) PPARANAAAIL6STPPARGFAAH
SCHEMBL237076 0.78 NAAA (0.49) PPARANAAAIL6STPPARGFAAH
SCHEMBL237075 0.78 NAAA (0.49) PPARANAAAIL6STPPARGFAAH
SCHEMBL291952 0.78 NAAA (0.49) PPARANAAAIL6STPPARGFAAH
SCHEMBL2501454 0.78 NAAA (0.48) PPARANAAAIL6STFAAHIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858658-B2 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH LLC (US) 2010-12-28 US disclosed
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
US-20090227667-A1 FLUORO- AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF WYETH (US) 2009-09-10 US disclosed
US-7547725-B2 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2009-06-16 US disclosed
US-7300951-B2 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2007-11-27 US disclosed
US-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2007-11-01 US disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 US disclosed
EP-1608638-A1 FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF Wyeth (US) 2005-12-28 EP disclosed
WO-2004092155-A1 FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF WYETH (US) 2004-10-28 WO disclosed
US-20040198778-A1 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH 2004-10-07 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 (5 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-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof SCN8A, CHD8, CHRNA7 PPARA 3854/4885NAAA 2080/4885IL6ST 1008/4885
US-20090227667-A1 FLUORO- AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF SCN8A, CHD8, CDR2 PPARA 3846/4885NAAA 2145/4885IL6ST 999/4885
US-20040198778-A1 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof BACE1, APP, PSEN1 PPARA 3932/4885NAAA 1237/4885IL6ST 3052/4885
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PPARA 3132/4885NAAA 1410/4885IL6ST 1278/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PPARA 3132/4885NAAA 1410/4885IL6ST 1278/4885

“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.