SCHEMBL1809858

SCHEMBL1809858

N#CCN1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.45
MAPK1 P28482 4/20 0.45
PKM P14618 3/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 7/20 0.45
ALDH3A1 P30838 1/20 0.45
WNK1 Q9H4A3 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
DOT1L Q8TEK3 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL30467972 1.00 MAPT (0.45) MAPTMAPK1PKMRAB9AGAA
SCHEMBL1700109 1.00 MAPT (0.45) MAPTMAPK1PKMRAB9AGAA
SCHEMBL1700703 0.85 MAPT (0.48) MAPTMAPK1PKMRAB9AGAA
SCHEMBL1700705 0.85 MAPT (0.48) MAPTMAPK1PKMRAB9AGAA
SCHEMBL1812895 0.85 MAPT (0.48) MAPTMAPK1PKMRAB9AGAA
SCHEMBL1810037 0.84 ALDH3A1 (0.47) MAPTMAPK1PKMRAB9AGAA
SCHEMBL1810034 0.84 ALDH3A1 (0.47) MAPTMAPK1PKMRAB9AGAA
SCHEMBL1811790 0.84 ALDH3A1 (0.47) MAPTMAPK1PKMRAB9AGAA
SCHEMBL28153060 0.84 ALDH3A1 (0.53) MAPTMAPK1PKMRAB9AGAA
SCHEMBL27923439 0.83 MAPT (0.46) MAPTMAPK1PKMRAB9AGAA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108175749-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2021-09-10 CN disclosed
EP-3666758-A1 PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE AbbVie Inc. (US) 2020-06-17 EP disclosed
EP-2507229-B1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-10-05 EP disclosed
EP-2376480-B1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-06-01 EP disclosed
US-9315488-B2 Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2016-04-19 US disclosed
US-20160009687-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-01-14 US disclosed
US-9174982-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-11-03 US disclosed
US-9125913-B2 Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2015-09-08 US disclosed
US-9072748-B2 BCL-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2015-07-07 US disclosed
US-9073855-B2 BCL-2 selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2015-07-07 US disclosed
US-20130267534-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2013-10-10 US disclosed
US-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2013-10-10 US disclosed
US-8546399-B2 Apoptosis inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120277210-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-11-01 US disclosed
US-20120190688-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BRUNCKO MILAN (US) 2012-07-26 US disclosed
US-20120108590-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 US disclosed
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-26 US disclosed
US-20100305122-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
US-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-17 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 (10 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-20120277210-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 MAPT 3062/4885MAPK1 3342/4885PKM 3763/4885
US-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 MAPT 3942/4885MAPK1 3101/4885PKM 4422/4885
US-20100305122-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 3890/4885MAPK1 2543/4885PKM 4532/4885
US-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885MAPK1 2721/4885PKM 4645/4885
US-20120108590-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 MAPT 1312/4885MAPK1 3364/4885PKM 3927/4885
US-20120190688-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885MAPK1 2721/4885PKM 4645/4885
US-20160009687-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 MAPT 3942/4885MAPK1 3101/4885PKM 4422/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885MAPK1 2721/4885PKM 4645/4885
US-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 MAPT 3942/4885MAPK1 3101/4885PKM 4422/4885
US-20130267534-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885MAPK1 2721/4885PKM 4645/4885

“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.