SCHEMBL2950848

SCHEMBL2950848

CC(C)(C)OC(=O)NC(CCCO)CSc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
PPARD Q03181 2/20 0.42
MMP13 P45452 1/20 0.42
CTSK P43235 8/20 0.42
SYK P43405 1/20 0.41
CTSS P25774 4/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL22409489 0.93 ATM (0.48) ATMPPARGPPARAMTNR1AMTNR1B
SCHEMBL19014888 0.93 ATM (0.48) ATMPPARGPPARAMTNR1AMTNR1B
SCHEMBL21191728 0.88 PPARA (0.46) ATMPPARGPPARAMTNR1AMTNR1B
SCHEMBL22203002 0.88 ATM (0.48) ATMPPARGPPARAMTNR1AMTNR1B
SCHEMBL2945955 0.87 ATM (0.50) ATMPPARGPPARAMTNR1AMTNR1B
SCHEMBL2947311 0.86 PLA2G2A (0.48) ATMPPARGPPARAMTNR1AMTNR1B
SCHEMBL25714445 0.85 ATM (0.46) ATMPPARGPPARAMTNR1AMTNR1B
SCHEMBL30404606 0.85 ATM (0.42) ATMPPARGPPARAMTNR1AMTNR1B
SCHEMBL21539126 0.84 ATM (0.46) ATMPPARGPPARAMTNR1AMTNR1B
SCHEMBL2947336 0.84 ATM (0.46) ATMPPARGPPARAMTNR1AMTNR1B

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-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
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
WO-2004056396-A1 DOSAGE FORMS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND HMG-CoA REDUCTASE INHIBITORS WITH IMPROVED PERFORMANCE PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US 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

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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ATM 3133/4885PPARG 2763/4885PPARA 2308/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ATM 3056/4885PPARG 2503/4885PPARA 2014/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ATM 3133/4885PPARG 2763/4885PPARA 2308/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ATM 2332/4885PPARG 1593/4885PPARA 1184/4885

“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.