SCHEMBL1960070

SCHEMBL1960070

CN(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1(CO)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
CA2 P00918 7/20 0.44
CA12 O43570 5/20 0.44
CA9 Q16790 5/20 0.44
CA1 P00915 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
VCAM1 P19320 1/20 0.40
MAPT P10636 6/20 0.39
GAA P10253 3/20 0.39
PKM P14618 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
BCL2L1 Q07817 1/20 0.36

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
SCHEMBL1700333 0.84 CA2 (0.45) KMT2ACA2CA12CA9CA1
SCHEMBL1699996 0.83 CA2 (0.44) KMT2ACA2CA12CA9CA1
SCHEMBL28130998 0.76 MAPT (0.44) KMT2ACA2CA12CA9CA1
SCHEMBL22581211 0.76 HTT (0.42) KMT2ACA2CA12CA9CA1
SCHEMBL523814 0.75 HTT (0.52) KMT2ACA2CA12CA9CA1
SCHEMBL28680887 0.74 KMT2A (0.41) KMT2ACA2CA12CA9CA1
SCHEMBL1957675 0.73 MAPT (0.48) KMT2ACA2CA12CA9CA1
SCHEMBL1956686 0.73 CA2 (0.46) KMT2ACA2CA12CA9CA1
SCHEMBL1956246 0.72 MAPT (0.45) KMT2ACA2CA12CA9CA1
SCHEMBL1960069 0.72 MAPT (0.51) KMT2ACA2CA12CA9CA1

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-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-09-06 US disclosed
EP-2376197-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2017-02-15 EP disclosed
EP-3112361-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2017-01-04 EP disclosed
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-10-20 US disclosed
US-9303025-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-04-05 US disclosed
US-20150183775-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES 2015-07-02 US disclosed
US-9029404-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-05-12 US disclosed
US-8952157-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-02-10 US disclosed
EP-2507211-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2014-06-18 EP disclosed
US-20140088106-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2014-03-27 US disclosed
US-20140066621-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2014-03-06 US disclosed
US-8557983-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2013-10-15 US disclosed
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
US-20100298323-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
US-20100160322-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-24 US disclosed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 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 (7 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-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KMT2A 3558/4885CA2 2352/4885CA12 1100/4885
US-20100298323-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KMT2A 3558/4885CA2 2352/4885CA12 1100/4885
US-20150183775-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KMT2A 3558/4885CA2 2352/4885CA12 1100/4885
US-20140088106-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KMT2A 3558/4885CA2 2352/4885CA12 1100/4885
US-20100160322-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KMT2A 3558/4885CA2 2352/4885CA12 1100/4885
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KMT2A 3558/4885CA2 2352/4885CA12 1100/4885
US-20140066621-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KMT2A 3558/4885CA2 2352/4885CA12 1100/4885

“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.