SCHEMBL4547697

SCHEMBL4547697

CC(=O)NS(=O)(=O)c1c(C)cc2nc[nH]c2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
DHFR P00374 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALKBH3 Q96Q83 1/20 0.33
FTO Q9C0B1 1/20 0.33
TNNI3K Q59H18 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.32
BRAF P15056 1/20 0.32
GDA Q9Y2T3 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL4547693 0.78 KMT2A (0.42) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL4547694 0.78 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL4547691 0.73 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL4547692 0.71 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL12733334 0.69 PKM (0.37) ALDH1A1SMN1; SMN2TSHRTDP1PKM
SCHEMBL9176627 0.69 CA1 (0.62) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL11097776 0.69 PARP1 (0.35) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL4547695 0.69 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL6581516 0.66 KDM4E (0.39) ALDH1A1TSHRTDP1LMNAGDA
SCHEMBL4547696 0.65 TDP1 (0.44) ALDH1A1SMN1; SMN2DHFRTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173811-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2012-05-08 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-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 (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-20110144112-A9 APOPTOSIS PROMOTERS BAX, BCL2, API5 ALDH1A1 3731/4885SMN1; SMN2 2412/4885DHFR 645/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 ALDH1A1 3731/4885SMN1; SMN2 2412/4885DHFR 645/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 ALDH1A1 3731/4885SMN1; SMN2 2412/4885DHFR 645/4885
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 ALDH1A1 3280/4885SMN1; SMN2 2635/4885DHFR 2722/4885

“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.