SCHEMBL2950438

SCHEMBL2950438

CC(C)(C)OC(=O)N1CC=C(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.46
GRM5 P41594 11/20 0.46
PDK4 Q16654 1/20 0.45
NAMPT P43490 1/20 0.42
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.40
HTR6 P50406 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL20841532 0.85 GRM1 (0.46) GRM1GRM5PDK4NAMPTESR2
SCHEMBL15615840 0.82 PDK4 (0.46) GRM1GRM5PDK4NAMPTESR2
SCHEMBL13542726 0.81 GRM1 (0.43) GRM1GRM5PDK4NAMPTESR2
SCHEMBL18293252 0.80 PDK4 (0.48) GRM1GRM5PDK4NAMPTESR2
SCHEMBL10225837 0.80 GRM5 (0.46) GRM1GRM5PDK4NAMPTESR2
SCHEMBL5078071 0.79 PDK4 (0.43) GRM1GRM5PDK4NAMPTESR2
SCHEMBL212403 0.79 PDK4 (0.46) GRM1GRM5PDK4NAMPTESR2
SCHEMBL27521647 0.78 PDK4 (0.53) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL29233999 0.78 PDK4 (0.46) GRM1GRM5PDK4NAMPTESR2
SCHEMBL18068367 0.78 PDK4 (0.46) GRM1GRM5PDK4NAMPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
EP-1487811-B1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LAB (US) 2007-09-05 EP disclosed
US-7030115-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2006-04-18 US disclosed
US-20060074085-A1 N-sulfonylurea apoptosis promoters ABBVIE INC. 2006-04-06 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20030236247-A1 N-sulfonylurea apoptosis promoters ABBVIE INC. 2003-12-25 US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 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 (7 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 GRM1 3908/4885GRM5 4564/4885PDK4 3537/4885
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD GRM1 3275/4885GRM5 2684/4885PDK4 1750/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 GRM1 4136/4885GRM5 4584/4885PDK4 3479/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 GRM1 3908/4885GRM5 4564/4885PDK4 3537/4885
US-20060074085-A1 N-sulfonylurea apoptosis promoters BAX, BCL2, BAD GRM1 3275/4885GRM5 2684/4885PDK4 1750/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR GRM1 4652/4885GRM5 4474/4885PDK4 3345/4885
US-20030236247-A1 N-sulfonylurea apoptosis promoters BAX, BCL2, AIFM1 GRM1 2636/4885GRM5 3429/4885PDK4 1745/4885

“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.