SCHEMBL2946575

SCHEMBL2946575

COc1cc(CCCN2CCOCC2)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 8/20 0.52
BCL2L1 Q07817 8/20 0.52
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALB P02768 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
USP2 O75604 1/20 0.47
EBP Q15125 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
EBPL Q9BY08 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
CD274 Q9NZQ7 1/20 0.46

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
SCHEMBL2949603 0.91 BCL2 (0.52) BCL2BCL2L1CYP2D6CYP2C9ALB
SCHEMBL2948029 0.89 EBP (0.51) EBPSIGMAR1TMEM97EBPLKDM4E
SCHEMBL2951704 0.84 SMN1; SMN2 (0.52) BCL2BCL2L1CYP2D6CYP2C9TSHR
SCHEMBL2948248 0.83 FKBP1A (0.57) BCL2BCL2L1KDM4EADRB1ADRB3
SCHEMBL2952076 0.83 ADRB1 (0.48) EBPSIGMAR1TMEM97EBPLADRB1
SCHEMBL2950934 0.82 MEN1 (0.47) EBPSIGMAR1TMEM97EBPLADRB1
SCHEMBL21830251 0.80 LMNA (0.53) CYP2D6CYP2C9LMNATSHREBP
SCHEMBL2950817 0.80 CHKA (0.54) BCL2BCL2L1EBPSIGMAR1TMEM97
SCHEMBL2952886 0.78 SMN1; SMN2 (0.62) LMNATSHR
SCHEMBL2948792 0.77 ABCB1 (0.53) KDM4E

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-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-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 BCL2 3/4885BCL2L1 5/4885CYP2D6 3315/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2 3/4885BCL2L1 4/4885CYP2D6 3510/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2 3/4885BCL2L1 5/4885CYP2D6 3315/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR BCL2 2/4885BCL2L1 6/4885CYP2D6 3575/4885

“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.