SCHEMBL522841

SCHEMBL522841

NS(=O)(=O)c1ccc(OC[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA9 Q16790 5/20 0.48
BRD4 O60885 2/20 0.46
VCAM1 P19320 1/20 0.44
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL522842 1.00 CA2 (0.48) CA2CA12CA1CA9BRD4
SCHEMBL1700056 0.87 LMNA (0.51) CA2CA12CA1CA9BRD4
SCHEMBL1699922 0.86 BRD4 (0.45) CA2CA12CA1CA9BRD4
SCHEMBL1699921 0.86 BRD4 (0.45) CA2CA12CA1CA9BRD4
SCHEMBL1700369 0.86 BRD4 (0.45) CA2CA12CA1CA9BRD4
SCHEMBL1700850 0.86 IKBKB (0.50) CA2CA12CA1CA9BRD4
SCHEMBL1700698 0.84 CA2 (0.44) CA2CA12CA1CA9BRD4
SCHEMBL1700700 0.84 CA2 (0.44) CA2CA12CA1CA9BRD4
SCHEMBL1700699 0.84 CA2 (0.44) CA2CA12CA1CA9BRD4
SCHEMBL30467937 0.84 LMNA (0.48) CA2CA12CA1CA9BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277291-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2020-09-03 US disclosed
US-20190315737-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2019-10-17 US disclosed
EP-3312178-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2018-04-25 EP disclosed
EP-3091017-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-01-17 EP disclosed
US-20170096424-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2017-04-06 US disclosed
EP-3091017-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2016-11-09 EP disclosed
US-9403822-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-08-02 US disclosed
EP-2575463-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-03-30 EP disclosed
US-20150246914-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-09-03 US disclosed
US-9006247-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-04-14 US disclosed
EP-2575463-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
US-20120028925-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2012-02-02 US disclosed
WO-2011150016-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO 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 (5 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-20120028925-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CA2 2352/4885CA12 1100/4885CA1 1290/4885
US-20150246914-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CA2 2352/4885CA12 1100/4885CA1 1290/4885
US-20200277291-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CA2 2352/4885CA12 1100/4885CA1 1290/4885
US-20190315737-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CA2 2352/4885CA12 1100/4885CA1 1290/4885
US-20170096424-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CA2 2352/4885CA12 1100/4885CA1 1290/4885

“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.