SCHEMBL2949986

SCHEMBL2949986

COC(=O)c1ccc(-c2ccc(CCCN(C)C)cc2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.50
CYP4F2 P78329 2/20 0.49
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2A P28223 1/20 0.44
EGFR P00533 2/20 0.44
LPAR1 Q92633 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2948803 0.88 CYP3A4 (0.49) CYP4A11CYP4F2BCL2BCL2L1ALDH1A1
SCHEMBL2951677 0.88 CYP4A11 (0.67) CYP4A11CYP4F2BCL2BCL2L1ALDH1A1
SCHEMBL2943712 0.85 CDK8 (0.49) CYP4A11BCL2BCL2L1ALDH1A1SMN1; SMN2
SCHEMBL2943978 0.85 CYP4A11 (0.52) CYP4A11CYP4F2ALDH1A1ADRB1ADRB3
SCHEMBL2947405 0.85 CYP4A11 (0.55) CYP4A11CYP4F2ALDH1A1SMN1; SMN2ADRB1
SCHEMBL2943626 0.83 CHEK1 (0.48) CYP4A11CYP4F2BCL2BCL2L1ALDH1A1
SCHEMBL2945133 0.83 EGFR (0.50) CYP4A11CYP4F2ALDH1A1SMN1; SMN2ADRB1
SCHEMBL2952031 0.82 EGFR (0.51) CYP4A11CYP4F2SMN1; SMN2ADRB1ADRB3
SCHEMBL2942087 0.82 ALDH1A1 (0.46) CYP4A11CYP4F2ALDH1A1SMN1; SMN2ADRB1
SCHEMBL5068476 0.82 CYP4A11 (0.68) CYP4A11CYP4F2ALDH1A1SMN1; SMN2KDM4E

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 6 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
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 (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-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CYP4A11 2924/4885CYP4F2 3073/4885BCL2 3/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CYP4A11 2635/4885CYP4F2 2905/4885BCL2 3/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR CYP4A11 3158/4885CYP4F2 3448/4885BCL2 2/4885

“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.