Sugi Predict

Sugi Predict / Compounds / SCHEMBL2021922

SCHEMBL2021922

SCHEMBL2021922

CN(C)CCN(C)C[C@H](CSc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 15/20 0.81
▸ DOT1L Q8TEK3 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ BCL2 P10415 11/20 0.50
▸ BDKRB1 P46663 2/20 0.50
▸ ALB P02768 1/20 0.50
▸ BCL2L2 Q92843 1/20 0.50
▸ BDKRB2 P30411 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TDP1 Q9NUW8 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
SCHEMBL2945774 0.92 BCL2L1 (0.82) BCL2L1DOT1LSMN1; SMN2BCL2BDKRB1
SCHEMBL376632 0.90 BCL2L1 (1.00) BCL2L1BCL2ALBBCL2L2
SCHEMBL29686481 0.90 BCL2L1 (1.00) BCL2L1BCL2ALBBCL2L2
SCHEMBL554723 0.90 BCL2L1 (1.00) BCL2L1BCL2ALBBCL2L2
SCHEMBL27671268 0.88 BCL2L1 (0.89) BCL2L1DOT1LSMN1; SMN2BCL2BDKRB1
SCHEMBL1542046 0.88 BCL2L1 (0.89) BCL2L1DOT1LSMN1; SMN2BCL2BDKRB1
SCHEMBL1541685 0.87 BCL2L1 (0.88) BCL2L1DOT1LSMN1; SMN2BCL2BDKRB1
SCHEMBL14003324 0.86 BCL2L1 (0.79) BCL2L1DOT1LSMN1; SMN2BCL2BDKRB1
SCHEMBL4733552 0.85 BCL2L1 (0.88) BCL2L1DOT1LBCL2ALBBCL2L2
SCHEMBL30404935 0.84 BCL2L1 (0.82) BCL2L1DOT1LBCL2ALBBCL2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045444-B2 Apoptosis promoters ABBVIE INC. (US) 2015-06-02 — — US disclosed
US-8354404-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2013-01-15 — — US disclosed
US-8173811-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2012-05-08 — — US disclosed
US-8084607-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2011-12-27 — — US disclosed
US-7973161-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2011-07-05 — — US disclosed
US-20110144112-A9 APOPTOSIS PROMOTERS ABBVIE INC. 2011-06-16 — — US disclosed
US-20100240715-A1 Apoptosis promoters ABBOTT LABORATORIES 2010-09-23 — — US disclosed
US-7767684-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2010-08-03 — — US disclosed
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 — — US disclosed
US-20100022773-A1 APOPTOSIS PROMOTERS ABBVIE INC. 2010-01-28 — — US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 — — US disclosed
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide ABBOTT LABORATORIES 2007-03-29 — — US disclosed
US-20060128706-A1 Apoptosis promoters ABBVIE INC. 2006-06-15 — — US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 — — EP disclosed
US-20050159427-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2005-07-21 — — 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 (9 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 BCL2L1 5/4885DOT1L 3016/4885SMN1; SMN2 1440/4885
US-20060128706-A1 Apoptosis promoters BAX, BCL2, API5 BCL2L1 10/4885DOT1L 3633/4885SMN1; SMN2 2412/4885
US-20110144112-A9 APOPTOSIS PROMOTERS BAX, BCL2, API5 BCL2L1 10/4885DOT1L 3633/4885SMN1; SMN2 2412/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2L1 4/4885DOT1L 2199/4885SMN1; SMN2 1656/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 BCL2L1 10/4885DOT1L 3633/4885SMN1; SMN2 2412/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR BCL2L1 6/4885DOT1L 2001/4885SMN1; SMN2 1713/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 BCL2L1 20/4885DOT1L 2848/4885SMN1; SMN2 1110/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 BCL2L1 10/4885DOT1L 3633/4885SMN1; SMN2 2412/4885
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide BCL2A1, BAX, BCL2L1 BCL2L1 3/4885DOT1L 2508/4885SMN1; SMN2 2635/4885

“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.