SCHEMBL2948029

SCHEMBL2948029

COc1cc(CCCN2CCN(C)CC2)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
TMEM97 Q5BJF2 1/20 0.51
EBPL Q9BY08 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
ABCB1 P08183 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 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
SCHEMBL2952076 0.93 ADRB1 (0.48) EBPSIGMAR1TMEM97EBPLADRB1
SCHEMBL2950817 0.90 CHKA (0.54) EBPSIGMAR1TMEM97EBPLMEN1
SCHEMBL2946575 0.89 BCL2 (0.52) EBPSIGMAR1TMEM97EBPLADRB1
SCHEMBL2948792 0.88 ABCB1 (0.53) MEN1KMT2AABCB1KDM4EPOLB
SCHEMBL2950934 0.86 MEN1 (0.47) EBPSIGMAR1TMEM97EBPLMEN1
SCHEMBL2943659 0.84 KDM1A (0.47) MEN1KMT2AADRB1ADRB3KDM4E
SCHEMBL2949961 0.83 CHKA (0.56) EBPSIGMAR1TMEM97EBPLKMT2A
SCHEMBL2949603 0.80 BCL2 (0.52) ALDH1A1
SCHEMBL2948523 0.80 CHRM3 (0.48) EBPSIGMAR1TMEM97EBPLADRB1
SCHEMBL2944876 0.78 CHKA (0.66) MEN1KMT2AABCB1KDM4E

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 EBP 561/4885SIGMAR1 3638/4885TMEM97 3675/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 EBP 265/4885SIGMAR1 3665/4885TMEM97 3717/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 EBP 561/4885SIGMAR1 3638/4885TMEM97 3675/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR EBP 221/4885SIGMAR1 4265/4885TMEM97 3689/4885

“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.