SCHEMBL2888355

SCHEMBL2888355

CCOC(=O)[C@@H](N)C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
CAD P27708 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL2888357 1.00 ALOX15 (0.39) ALOX15ALDH1A1LMNAHSD17B10HDAC4
SCHEMBL13337460 0.83 ALOX15 (0.39) ALOX15ALDH1A1LMNAHSD17B10HDAC4
SCHEMBL17234506 0.83 ALOX15 (0.39) ALOX15ALDH1A1LMNAHSD17B10HDAC4
SCHEMBL15534315 0.82 ALOX15 (0.38) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL10272819 0.82 ALOX15 (0.38) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL3906700 0.82 ALOX15 (0.38) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL2982120 0.82 ALOX15 (0.38) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL2889933 0.78 SMN1; SMN2 (0.36)
SCHEMBL3220276 0.78 ALOX15 (0.42) ALOX15ALDH1A1LMNAHSD17B10HDAC4
SCHEMBL2886731 0.78 SMN1; SMN2 (0.36)

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 8 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-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
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 (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-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof SCN8A, CHD8, CHRNA7 ALOX15 3556/4885ALDH1A1 4677/4885LMNA 3394/4885
US-20090227667-A1 FLUORO- AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF SCN8A, CHD8, CDR2 ALOX15 3390/4885ALDH1A1 4696/4885LMNA 3410/4885
US-20040198778-A1 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof BACE1, APP, PSEN1 ALOX15 1960/4885ALDH1A1 3984/4885LMNA 1068/4885

“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.