SCHEMBL4547692

SCHEMBL4547692

CC(=O)NS(=O)(=O)c1c(C)cc(N)c(N)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
DHFR P00374 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 4/20 0.36
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL4547696 0.80 TDP1 (0.44) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL4547691 0.80 SMN1; SMN2 (0.44) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL9176627 0.75 CA1 (0.62) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL10588480 0.73 L3MBTL1 (0.42) TSHRTDP1ALDH1A1F2PRSS1
SCHEMBL4547697 0.71 ALDH1A1 (0.35) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL4547694 0.71 ALDH1A1 (0.35) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL13287262 0.70 SMN1; SMN2 (0.44) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL4547695 0.69 ALDH1A1 (0.36) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL4547693 0.68 KMT2A (0.42) SMN1; SMN2DHFRTSHRTDP1PKM
SCHEMBL5777751 0.68 KDM4E (0.51) SMN1; SMN2MMP1MMP2MMP9MMP13

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 15 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-20140187531-A1 APOPTOSIS PROMOTERS ABBVIE INC. (US) 2014-07-03 US disclosed
US-20130190488-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2013-07-25 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-20110256129-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2011-10-20 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-20100022773-A1 APOPTOSIS PROMOTERS ABBVIE INC. 2010-01-28 US disclosed
US-7642260-B2 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, INC. (US) 2010-01-05 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-20070015787-A1 Apoptosis promoters ABBVIE INC. 2007-01-18 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 (8 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-20110144112-A9 APOPTOSIS PROMOTERS BAX, BCL2, API5 SMN1; SMN2 2412/4885DHFR 645/4885TSHR 4124/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 SMN1; SMN2 2412/4885DHFR 645/4885TSHR 4124/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 SMN1; SMN2 2412/4885DHFR 645/4885TSHR 4124/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 SMN1; SMN2 2412/4885DHFR 645/4885TSHR 4124/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 SMN1; SMN2 2412/4885DHFR 645/4885TSHR 4124/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 SMN1; SMN2 2412/4885DHFR 645/4885TSHR 4124/4885
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 SMN1; SMN2 2635/4885DHFR 2722/4885TSHR 4739/4885
US-20110256129-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 SMN1; SMN2 2412/4885DHFR 645/4885TSHR 4124/4885

“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.